SCHEMBL1563522

SCHEMBL1563522

Clc1cc(Cl)cc(Oc2ccc(CBr)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ ST14 Q9Y5Y6 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LTA4H P09960 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TERT O14746 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ IDO1 P14902 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6824043 0.85 MAOB (0.52) ST14MAOAMAOBLTA4HS1PR5
SCHEMBL30302090 0.85 MAOA (0.44) CARM1PRMT6ST14ALDH1A1MAPT
SCHEMBL20566300 0.85 MAOA (0.44) CARM1PRMT6ST14ALDH1A1MAPT
SCHEMBL15127714 0.84 ST14 (0.36) CARM1PRMT6ST14ALDH1A1MAPT
SCHEMBL9428779 0.83 LPAR1 (0.44) ST14ALDH1A1MAPTMAOBPGR
SCHEMBL5885219 0.82 ST14 (0.48) ST14ALDH1A1MAPTLTA4HTRPA1
SCHEMBL1564074 0.80 LTA4H (0.59) CARM1PRMT6ST14ALDH1A1MAPT
SCHEMBL921403 0.80 ST14 (0.73) CARM1PRMT6ST14ALDH1A1MAPT
SCHEMBL16316407 0.80 CARM1 (0.49) CARM1PRMT6ST14ALDH1A1MAPT
SCHEMBL22440847 0.79 MCL1 (0.43) ST14ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617711-A1 Amino alcohol derivatives, salts thereof and immunosuppressive agents Kyorin Pharmaceutical Co., Ltd. (JP) 2013-07-24 — — EP disclosed
EP-2172472-B1 Aminophosphonic acid derivative, salt thereof and modulator of S1P receptor KYORIN SEIYAKU KK (JP) 2012-12-26 — — EP disclosed
EP-1602660-B1 AMINOPHOSPHONIC ACID DERIVATIVES, ADDITION SALTS THEREOF AND S1P RECEPTOR MODULATORS KYORIN SEIYAKU KK (JP) 2011-04-06 — — EP disclosed
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 — — US disclosed
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 — — US disclosed
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 — — US disclosed
US-7759326-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
US-7759326-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
US-7759326-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
EP-2172472-A2 Aminophosphonic acid derivative, salt thereof and modulator of S1P receptor Kyorin Pharmaceutical Co., Ltd. (JP) 2010-04-07 — — EP disclosed
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KOHNO YASUSHI 2008-11-06 — — US disclosed
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KOHNO YASUSHI 2008-11-06 — — US disclosed
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KOHNO YASUSHI 2008-11-06 — — US disclosed
US-20060160771-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-07-20 — — US disclosed
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 — — US disclosed
EP-1602660-A1 AMINOPHOSPHONIC ACID DERIVATIVES, ADDITION SALTS THEREOF AND S1P RECEPTOR MODULATORS Kyorin Pharmaceutical Co., Ltd. (JP) 2005-12-07 — — EP disclosed
US-6963012-B2 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 — — US disclosed
EP-1548003-A1 AMINO ALCOHOL DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2005-06-29 — — EP disclosed
US-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-12-02 — — US disclosed
EP-1431275-A1 DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2004-06-23 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060160771-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus S1PR1, S1PR2, S1PR5 CARM1 3135/4885PRMT6 1682/4885ST14 2115/4885
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus S1PR1, S1PR2, S1PR5 CARM1 3135/4885PRMT6 1682/4885ST14 2115/4885
US-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant IL2, TSLP, HLA-DRB1 CARM1 2762/4885PRMT6 2889/4885ST14 2873/4885
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A CARM1 739/4885PRMT6 358/4885ST14 883/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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