SCHEMBL2064775

SCHEMBL2064775

NCc1onnc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.45
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ RPS6KB2 Q9UBS0 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2066554 0.70 ALDH1A1 (0.42) MEN1KMT2ARPS6KB2ALDH1A1KDM4E
SCHEMBL2065046 0.70 DPP4 (0.40) MEN1KMT2ATDO2RPS6KB2ALDH1A1
SCHEMBL2066557 0.67 KDM4E (0.45) MEN1KMT2ARPS6KB2ALDH1A1KDM4E
SCHEMBL820251 0.65 RPS6KB2 (0.50) MEN1KMT2ARPS6KB2ALDH1A1KDM4E
SCHEMBL22854566 0.64 NPC1 (0.62) LTA4HMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL15940914 0.63 CYP11B1 (0.56) LTA4HMEN1KMT2ATDO2RPS6KB2
SCHEMBL5151110 0.63 TDO2 (0.50) MEN1KMT2ATDO2RPS6KB2ALDH1A1
Ethylamine SCHEMBL29134036 0.63 LTA4H (0.57) LTA4HMEN1KMT2AALDH1A1KDM4E
SCHEMBL2690127 0.62 LTA4H (1.00) LTA4HMEN1KMT2AALDH1A1KDM4E
SCHEMBL28454459 0.61 RPS6KB2 (0.50) MEN1KMT2ARPS6KB2ALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 — — EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 — — US disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 — — US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 — — EP disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 — — WO 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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 LTA4H 218/4885MEN1 1461/4885KMT2A 3418/4885

“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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