SCHEMBL3556271

SCHEMBL3556271

O=C(COc1cc(Cl)cc(Cl)c1)Nc1cscc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPM4 Q8TD43 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TP53 P04637 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
SERPINE1 P05121 1/20 0.42
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41

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
SCHEMBL3559685 0.92 CASP6 (0.42) PTPN1NPC1RAB9AL3MBTL1TRPM4
SCHEMBL3561252 0.88 NOTUM (0.55) NPC1RAB9AL3MBTL1TRPM4MEN1
SCHEMBL3559719 0.87 NPC1 (0.57) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3550521 0.84 PTPN1 (0.47) PTPN1NPC1RAB9AL3MBTL1MEN1
SCHEMBL3555404 0.84 MEN1 (0.48) PTPN1NPC1RAB9ATRPM4MEN1
SCHEMBL3559573 0.84 MEN1 (0.50) PTPN1NPC1RAB9AL3MBTL1TRPM4
SCHEMBL3553298 0.81 PTPN1 (0.43) PTPN1NPC1MEN1KMT2ACASP3
SCHEMBL3556752 0.81 ATF4 (0.47) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3561950 0.81 POLB (0.53) RAB9AMEN1KMT2ACASP3SENP8
SCHEMBL3555635 0.81 SERPINE1 (0.52) NPC1RAB9AL3MBTL1TRPM4MEN1

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 PTPN1 648/4885NPC1 1082/4885RAB9A 813/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 PTPN1 648/4885NPC1 1082/4885RAB9A 813/4885

“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.