SCHEMBL3561950

SCHEMBL3561950

Cc1ccc(OCC(=O)Nc2cscc2C(=O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SENP2 Q9HC62 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
HCAR2 Q8TDS4 2/20 0.46

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
SCHEMBL3559573 0.90 MEN1 (0.50) POLBSENP2KMT2AMEN1CASP3
SCHEMBL3556752 0.84 ATF4 (0.47) POLBSENP2KMT2AMEN1CASP3
SCHEMBL4915512 0.84 KMT2A (0.68) POLBSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3552020 0.84 MRGPRX4 (0.47) POLBSMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL3559719 0.83 NPC1 (0.57) ALDH1A1HPGDSENP2KMT2AMEN1
SCHEMBL4912174 0.83 HCAR2 (0.58) POLBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3552720 0.81 DVL1 (0.67) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL3561252 0.81 NOTUM (0.55) POLBALDH1A1KMT2AMEN1CASP3
SCHEMBL3558343 0.81 CETP (0.49) POLBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3556271 0.81 PTPN1 (0.47) POLBKMT2AMEN1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN claimed
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
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN disclosed
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 POLB 4319/4885SMN1; SMN2 3043/4885KDM4E 2421/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 POLB 4319/4885SMN1; SMN2 3043/4885KDM4E 2421/4885

“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.