SCHEMBL6818482

SCHEMBL6818482

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALB P02768 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
F10 P00742 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR3C1 P04150 1/20 0.35
PRSS12 P56730 1/20 0.35
RORC P51449 1/20 0.34
TBXA2R P21731 1/20 0.34
CDK2 P24941 1/20 0.34
LTC4S Q16873 1/20 0.34

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
SCHEMBL7073951 0.87 TAS2R14 (0.39) HTTALBTAS2R14SIGMAR1TMEM97
SCHEMBL6833716 0.85 ALB (0.38) ALBSIGMAR1TMEM97F10MEN1
SCHEMBL6833250 0.84 ALB (0.40) ALBTAS2R14F10MEN1KMT2A
SCHEMBL6822224 0.84 ALB (0.38) HTTALBF10MEN1KMT2A
SCHEMBL6821877 0.82 F2R (0.39) HTTALBF10MEN1KMT2A
SCHEMBL6358688 0.81 ALB (0.53) HTTALBTAS2R14OPRK1SIGMAR1
SCHEMBL6834272 0.80 ALB (0.36) ALBF10MEN1KMT2AKDM4E
SCHEMBL6352310 0.80 APEX1 (0.52) HTTALBMEN1KMT2AKDM4E
SCHEMBL7066732 0.80 MEN1 (0.44) ALBF10MEN1KMT2AKDM4E
SCHEMBL7064764 0.79 ALB (0.46) HTTALBF10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 HTT 1599/4885ALB 1417/4885TAS2R14 1288/4885

“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.