SCHEMBL3561252

SCHEMBL3561252

O=C(COc1cccc(Cl)c1)Nc1cscc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAOB P27338 1/20 0.53
SERPINE1 P05121 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
ALOX12 P18054 1/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPM4 Q8TD43 2/20 0.49
DVL1 O14640 1/20 0.49
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CETP P11597 1/20 0.48

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
SCHEMBL3555635 0.88 SERPINE1 (0.52) L3MBTL1NPC1RAB9ASERPINE1ALDH1A1
SCHEMBL3556271 0.88 PTPN1 (0.47) L3MBTL1NPC1RAB9ASERPINE1TP53
SCHEMBL3562902 0.87 NPC1 (0.52) NPC1RAB9ALMNAALDH1A1
SCHEMBL3556566 0.86 SERPINE1 (0.53) L3MBTL1NPC1RAB9ASERPINE1TP53
SCHEMBL3552720 0.86 DVL1 (0.67) L3MBTL1RAB9AGAALMNAALDH1A1
SCHEMBL3561053 0.86 SMN1; SMN2 (0.52) L3MBTL1NPC1RAB9ATP53GAA
SCHEMBL3559719 0.85 NPC1 (0.57) L3MBTL1NPC1RAB9ALMNAALDH1A1
SCHEMBL3559573 0.84 MEN1 (0.50) L3MBTL1NPC1RAB9ATRPM4MEN1
SCHEMBL4905494 0.84 MEN1 (0.69) L3MBTL1NPC1RAB9ASERPINE1TP53
SCHEMBL3557611 0.84 POLB (0.65) L3MBTL1NPC1RAB9ATP53LMNA

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 NOTUM 3609/4885L3MBTL1 3560/4885NPC1 1082/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 NOTUM 3609/4885L3MBTL1 3560/4885NPC1 1082/4885

“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.