SCHEMBL118528

SCHEMBL118528

COC(=O)c1ccc(S(=O)(=O)NCC2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.53
HTT P42858 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL28644166 0.78 HDAC3 (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL119026 0.78 KMT2A (0.71) CYP2C9HSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL119739 0.78 KMT2A (0.67) CYP2C9HSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL120151 0.77 KMT2A (0.73) CYP2C9HSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10194640 0.74 HDAC6 (0.60) KDM4ECYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL10194493 0.74 F10 (0.51) KDM4ECYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL15626596 0.73 DGAT1 (0.55) KDM4ECYP3A4KMT2AMEN1F10
SCHEMBL22776419 0.72 ALDH1A1 (0.52) KDM4ECYP3A4CYP2C9HSD17B10ALDH1A1
SCHEMBL10194570 0.72 F10 (0.55) KDM4ECYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL25440166 0.71 MGLL (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR

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 KDM4E 2411/4885CYP3A4 3018/4885CYP2C9 1354/4885

“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.