SCHEMBL3309261

SCHEMBL3309261

CCc1cccc(Sc2ccc(CC=O)c(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
POLB P06746 1/20 0.35
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
S1PR1 P21453 2/20 0.33
PRMT1 Q99873 1/20 0.33
DHODH Q02127 1/20 0.32
SIGMAR1 Q99720 5/20 0.32
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL3299176 0.81 TDP1 (0.41) HPGDDDB1CRBNPOLBHTR2C
SCHEMBL3302917 0.80 HTR2C (0.38) HPGDDDB1CRBNPOLBHTR2C
SCHEMBL1563615 0.78 S1PR1 (0.55) S1PR1
SCHEMBL3301570 0.77 HTR2C (0.36) HPGDDDB1CRBNPOLBHTR2C
SCHEMBL3304333 0.77 S1PR1 (0.39) HPGDDDB1CRBNPOLBHTR2C
SCHEMBL1786072 0.75 HTR2C (0.52) HPGDDDB1CRBNPOLBHTR2C
SCHEMBL1563166 0.74 S1PR1 (0.45) S1PR1
SCHEMBL4421908 0.72 S1PR1 (0.43) HTR2CHTR6S1PR1
SCHEMBL12677724 0.72 S1PR1 (0.47) HPGDPOLBHTR2CHTR6S1PR1
SCHEMBL2131088 0.71 AR (0.47) HPGDHTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053038-B1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESSIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2016-10-05 EP disclosed
EP-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 EP disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
CN-101506145-B Aminoalcohol derivative and immunosuppressant containing the same as active ingredient KYORIN SEIYAKU KK 2013-05-29 CN disclosed
CN-101501049-B Aminophosphoric acid ester derivative and S1P receptor modulator containing the same as active ingredient KYORIN SEIYAKU KK 2013-04-24 CN disclosed
US-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
WO-2009099174-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR INFLAMMATORY BOWEL DISEASE CONTAINING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed
CN-101506145-A Aminoalcohol derivative and immunosuppressant containing the same as active ingredient KYORIN SEIYAKU KK (JP) 2009-08-12 CN disclosed
CN-101501049-A Aminophosphoric acid ester derivative and S1P receptor modulator containing the same as active ingredient KYORIN SEIYAKU KK (JP) 2009-08-05 CN disclosed
EP-2058317-A1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP disclosed
EP-2058317-A1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP disclosed
EP-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 EP disclosed
EP-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 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 (1 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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 HPGD 3317/4885DDB1 3787/4885CRBN 4171/4885

“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.