SCHEMBL2117719

SCHEMBL2117719

COc1ccc(OC)c(C(C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 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
SCHEMBL2118315 0.88 PSEN1 (0.57) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL2118691 0.87 PSEN1 (0.51) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL2117809 0.82 SMN1; SMN2 (0.40) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL2119723 0.78 CA1 (0.40) MAPTGAAPSEN1PSEN2APH1B
SCHEMBL2118036 0.75 PSEN1 (0.57) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL5622693 0.74 ESR1 (0.54) GAALMNATP53ALDH1A1NPSR1
SCHEMBL2119628 0.72 PSEN1 (0.52) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL19190214 0.72 MCOLN3 (0.50) MAPTGAACYP2C9CYP2C19PSEN1
SCHEMBL29955664 0.71 CA1 (0.45) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL7822343 0.71 KEAP1 (0.54) MAPTCYP1A2CYP3A4GAACYP2C9

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
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US 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 MAPT 2242/4885CYP1A2 2926/4885CYP3A4 3018/4885

“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.