SCHEMBL3561053

SCHEMBL3561053

CCOc1cccc(OCC(=O)Nc2cscc2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
DVL1 O14640 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPK10 P53779 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL3557611 0.88 POLB (0.65) SMN1; SMN2POLBNPC1RAB9AMAPT
SCHEMBL3552720 0.88 DVL1 (0.67) POLBRAB9AMAPTMAPK1DVL1
SCHEMBL3561252 0.86 NOTUM (0.55) POLBNPC1RAB9ADVL1KMT2A
SCHEMBL3556566 0.86 SERPINE1 (0.53) SMN1; SMN2NPC1RAB9AMAPTDVL1
SCHEMBL3559202 0.83 DVL1 (0.47) SMN1; SMN2POLBNPC1RAB9AMAPT
SCHEMBL3565134 0.83 KDM4E (0.58) SMN1; SMN2POLBMAPTDVL1KMT2A
SCHEMBL3556282 0.82 KMT2A (0.59) SMN1; SMN2POLBNPC1RAB9AMAPT
SCHEMBL3558904 0.80 HCAR2 (0.56) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL3559573 0.80 MEN1 (0.50) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL3561950 0.79 POLB (0.53) SMN1; SMN2POLBRAB9AMAPTDVL1

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 SMN1; SMN2 3043/4885POLB 4319/4885NPC1 1082/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 SMN1; SMN2 3043/4885POLB 4319/4885NPC1 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.