SCHEMBL3563245

SCHEMBL3563245

COC(=O)c1cscc1NC(=O)COc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TSHR P16473 4/20 0.53
MAPK10 P53779 3/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 8/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
HCAR2 Q8TDS4 1/20 0.46
KMT2A Q03164 4/20 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
SCHEMBL3551071 0.90 MAPT (0.57) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3562559 0.88 TSHR (0.55) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3554671 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3552623 0.84 TSHR (0.53) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3552451 0.82 ALDH1A1 (0.51) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3552433 0.81 ALDH1A1 (0.54) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3551053 0.80 HCAR2 (0.56) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3562415 0.79 HCAR2 (0.59) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3557253 0.79 ALDH1A1 (0.57) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3555314 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPK10HSD17B10MAPT

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 5 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 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 ALDH1A1 1492/4885TSHR 46/4885MAPK10 2360/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 ALDH1A1 1492/4885TSHR 46/4885MAPK10 2360/4885

“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.