SCHEMBL2117809

SCHEMBL2117809

COc1ccc(OC)c(C(C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL2119723 0.96 CA1 (0.40) SMN1; SMN2HTTLMNACA1CA2
SCHEMBL2117719 0.82 MAPT (0.46) LMNACA1CA2ACHEMAPT
SCHEMBL2119805 0.81 SMN1; SMN2 (0.42) SMN1; SMN2HTTCA1CA2ACHE
SCHEMBL2118315 0.74 PSEN1 (0.57) LMNAMAPTKDM4EGAACYP1A2
SCHEMBL2120075 0.73 PSEN1 (0.44) SMN1; SMN2HTTCA1CA2ACHE
SCHEMBL2118691 0.71 PSEN1 (0.51) HTTLMNAMAPTGAACYP1A2
SCHEMBL2118908 0.70 TSHR (0.48) SMN1; SMN2ACHEMAPTKDM4EGAA
SCHEMBL2119518 0.70 TSHR (0.41) MAPTKDM4EGAATSHRMAPK1
SCHEMBL2117553 0.70 HSD11B1 (0.44) SMN1; SMN2LMNACA1CA2ACHE
SCHEMBL2119849 0.69 HSD11B1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 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

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 SMN1; SMN2 1501/4885HTT 2818/4885LMNA 3339/4885

“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.