SCHEMBL4633858

SCHEMBL4633858

CCOC(=O)CSc1ccccc1C(=O)O.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
POLB P06746 3/20 0.57
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
PRNP P04156 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4633853 0.84 HSD17B10 (0.52) CYP1A2RAB9ANPC1POLBHSP90AA1
SCHEMBL7153877 0.81 L3MBTL1 (0.60) POLBALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL8870482 0.80 HSD17B10 (0.62) RAB9ANPC1POLBALDH1A1HSD17B10
SCHEMBL1514431 0.79 TYMS (0.62) CYP1A2POLBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2407025 0.79 CYP1A2 (0.61) CYP1A2RAB9ANPC1POLBHSP90AA1
SCHEMBL28728287 0.79 CYP1A2 (0.65) CYP1A2RAB9ANPC1POLBHSP90AA1
SCHEMBL18301097 0.78 ALDH1A1 (0.55) CYP1A2POLBALDH1A1HSD17B10KDM4E
SCHEMBL28473859 0.78 ALDH1A1 (0.55) CYP1A2RAB9ANPC1POLBALDH1A1
SCHEMBL2027600 0.77 LMNA (0.59) CYP1A2RAB9ANPC1POLBALDH1A1
SCHEMBL4853402 0.77 CYP1A2 (0.62) CYP1A2RAB9ANPC1POLBHSP90AA1

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
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 US disclosed
EP-1685121-A1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005054225-A1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2005-06-16 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 (1 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-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives GPR119, INSR, GLP1R CYP1A2 499/4885RAB9A 3593/4885NPC1 1987/4885

“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.