SCHEMBL3552433

SCHEMBL3552433

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
MAPK10 P53779 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 7/20 0.48
HCAR2 Q8TDS4 1/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 5/20 0.45
PKM P14618 2/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 3/20 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
SCHEMBL3554671 0.85 ALDH1A1 (0.62) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3557253 0.85 ALDH1A1 (0.57) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3562415 0.85 HCAR2 (0.59) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3552451 0.84 ALDH1A1 (0.51) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3552623 0.83 TSHR (0.53) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3556557 0.82 TP53 (0.55) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL5696432 0.82 ALDH1A1 (0.80) ALDH1A1TSHRMAPK10HSD17B10MAPT
SCHEMBL3552717 0.82 MAPT (0.48) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3559758 0.82 GAA (0.53) ALDH1A1TSHRMAPK10HSD17B10MAPK8
SCHEMBL3563245 0.81 ALDH1A1 (0.53) ALDH1A1TSHRMAPK10HSD17B10MAPK8

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 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.