SCHEMBL3554671

SCHEMBL3554671

COC(=O)c1cscc1NC(=O)COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 4/20 0.62
MAPK10 P53779 3/20 0.62
HSD17B10 Q99714 1/20 0.62
HCAR2 Q8TDS4 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 6/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL3552451 0.89 ALDH1A1 (0.51) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3561257 0.89 HCAR2 (0.56) ALDH1A1TSHRMAPK10HSD17B10HCAR2
SCHEMBL3552623 0.88 TSHR (0.53) ALDH1A1TSHRMAPK10HSD17B10HCAR2
SCHEMBL3552611 0.88 MMP3 (0.54) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3563245 0.88 ALDH1A1 (0.53) ALDH1A1TSHRMAPK10HSD17B10HCAR2
SCHEMBL3555314 0.87 ALDH1A1 (0.53) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3562559 0.87 TSHR (0.55) ALDH1A1TSHRMAPK10HSD17B10HCAR2
SCHEMBL3562578 0.86 NPC1 (0.48) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3552433 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMAPK10HSD17B10HCAR2
SCHEMBL5696463 0.85 ALDH1A1 (0.85) ALDH1A1TSHRMAPK10HSD17B10HCAR2

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 disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
EP-1853579-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 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
WO-2006085113-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-17 WO 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 (3 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-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists GPR84, GPR88, HCAR1 ALDH1A1 1158/4885TSHR 80/4885MAPK10 3344/4885
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.