SCHEMBL3554708

SCHEMBL3554708

COC(=O)c1cscc1NC(=O)COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
HIF1A Q16665 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPK10 P53779 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL3559758 0.99 GAA (0.53) GAAHIF1AMEN1POLBKMT2A
SCHEMBL3555469 0.89 HIF1A (0.56) GAAHIF1AMEN1POLBKMT2A
SCHEMBL3557167 0.88 HIF1A (0.54) GAAHIF1AMEN1POLBKMT2A
SCHEMBL3552433 0.81 ALDH1A1 (0.54) GAAHIF1AMEN1POLBKMT2A
SCHEMBL3562415 0.79 HCAR2 (0.59) GAAHIF1AMEN1POLBKMT2A
SCHEMBL3557253 0.79 ALDH1A1 (0.57) KMT2ASMN1; SMN2LMNAMAPTTSHR
SCHEMBL3554671 0.79 ALDH1A1 (0.62) GAAMEN1POLBKMT2ASMN1; SMN2
SCHEMBL3552451 0.78 ALDH1A1 (0.51) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3552623 0.77 TSHR (0.53) GAAMEN1POLBKMT2ALMNA
SCHEMBL3556557 0.76 TP53 (0.55) POLBSMN1; SMN2LMNAMAPTTSHR

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 6 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 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 GAA 3797/4885HIF1A 1691/4885MEN1 1943/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 GAA 3797/4885HIF1A 1691/4885MEN1 1943/4885

“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.