SCHEMBL7823640

SCHEMBL7823640

NC(=O)CSc1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
RAB9A P51151 6/20 0.67
NPC1 O15118 4/20 0.58
POLB P06746 3/20 0.58
GAA P10253 1/20 0.58
HSP90AA1 P07900 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
PTPRG P23470 1/20 0.49

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
SCHEMBL14696832 0.87 CYP1A2 (0.55) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL14273088 0.86 CYP1A2 (0.54) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL31136068 0.85 CYP1A2 (1.00) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL340809 0.85 CYP1A2 (1.00) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL2561504 0.81 CYP1A2 (0.73) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL6231914 0.80 CYP1A2 (0.71) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL6230251 0.80 CYP1A2 (0.71) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL11824136 0.80 RAB9A (1.00) CYP1A2RAB9ANPC1POLBGAA
SCHEMBL13162542 0.79 HSD17B10 (0.59) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL2407154 0.78 CYP1A2 (0.73) CYP1A2RAB9ANPC1POLBGAA

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
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B CYP1A2 730/4885RAB9A 2523/4885NPC1 1433/4885

“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.