SCHEMBL3555635

SCHEMBL3555635

O=C(COc1ccc(-c2cccc(Cl)c2)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.52
▸ GPR34 Q9UPC5 2/20 0.50
▸ HCAR2 Q8TDS4 2/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TRPM4 Q8TD43 3/20 0.48
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45

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
SCHEMBL3561257 0.89 HCAR2 (0.56) HCAR2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL3561252 0.88 NOTUM (0.55) SERPINE1NPC1RAB9AL3MBTL1TRPM4
SCHEMBL3558904 0.86 HCAR2 (0.56) HCAR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3556566 0.85 SERPINE1 (0.53) SERPINE1HCAR2NPC1RAB9AL3MBTL1
SCHEMBL3554508 0.85 MAPT (0.53) HCAR2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL3559719 0.85 NPC1 (0.57) HCAR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3555867 0.85 SMN1; SMN2 (0.52) HCAR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3556228 0.83 LMNA (0.51) HCAR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3559960 0.82 NPC1 (0.51) HCAR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3556827 0.82 NOTUM (0.51) HCAR2RAB9AL3MBTL1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 — — US claimed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 — — EP claimed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 — — US claimed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO claimed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 — — US claimed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 — — US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 — — EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 — — US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 — — US 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 (2 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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 SERPINE1 3459/4885GPR34 14/4885HCAR2 121/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 SERPINE1 3459/4885GPR34 14/4885HCAR2 121/4885

“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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