SCHEMBL119763

SCHEMBL119763

FC(F)(F)c1cccnc1NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.57
CYP3A4 P08684 7/20 0.57
CYP2D6 P10635 7/20 0.57
CYP2C19 P33261 7/20 0.57
USP2 O75604 3/20 0.57
ALOX15 P16050 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
TSHR P16473 3/20 0.53
CYP2C9 P11712 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP1 O94782 7/20 0.52
WDR48 Q8TAF3 7/20 0.52
HIF1A Q16665 1/20 0.50
EGFR P00533 1/20 0.50
FABP1 P07148 1/20 0.49
FABP6 P51161 1/20 0.49
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
BACE1 P56817 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
SCHEMBL312225 0.83 NPC1 (0.58) USP1WDR48HIF1AEGFR
SCHEMBL14993887 0.78 EGFR (0.54) CYP1A2CYP3A4CYP2D6CYP2C19ALOX15
SCHEMBL6485412 0.78 POLB (0.45) CYP1A2CYP3A4CYP2D6CYP2C19HSD11B1
SCHEMBL14214497 0.78 POLB (0.48) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25377954 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL8131100 0.75 POLB (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL13536868 0.75 POLB (0.52) CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL11563231 0.75 EGFR (0.54) CYP1A2CYP3A4CYP2D6CYP2C19ALOX15
SCHEMBL6285864 0.75 BACE1 (0.65) ALDH1A1MAPK1TSHREGFRFABP1
SCHEMBL31631318 0.75 BACE1 (0.65) ALDH1A1MAPK1TSHREGFRFABP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427810-A Sulfamoylbenzoic acid derivatives as TRPM8 antagonists RAQUALIA PHARMA INC 2012-04-25 CN disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
EP-2424517-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc (JP) 2012-03-07 EP disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 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-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 CYP1A2 2926/4885CYP3A4 3018/4885CYP2D6 1316/4885

“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.