SCHEMBL6835744

SCHEMBL6835744

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.43
PGR P06401 3/20 0.42
ROCK2 O75116 1/20 0.41
BRPF1 P55201 4/20 0.40
BRD1 O95696 3/20 0.40
BRPF3 Q9ULD4 2/20 0.40
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
CSF1R P07333 1/20 0.39
NR3C1 P04150 2/20 0.39
NR3C2 P08235 2/20 0.39
AR P10275 1/20 0.39
TDP2 O95551 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ATM Q13315 1/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM4 Q14833 1/20 0.36

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
SCHEMBL6818253 0.87 ROCK2 (0.42) ALBROCK2RXFP1TRPA1GRM4
SCHEMBL6814610 0.86 ROCK2 (0.41) ALBROCK2RXFP1TRPA1ALDH1A1
SCHEMBL6833349 0.84 PKLR (0.45) BRD4ALDH1A1
SCHEMBL7071019 0.83 ALDH1A1 (0.44) ALBNR3C2ALDH1A1
SCHEMBL6817988 0.83 NAMPT (0.43) ALBPGRROCK2BRD4ALDH1A1
SCHEMBL6833234 0.83 KDM4C (0.43) ALBROCK2RXFP1ALDH1A1GRM4
SCHEMBL6818878 0.82 ALB (0.56) ALBTRPA1GRM4
SCHEMBL6835702 0.82 MAPT (0.47) ALBALDH1A1
SCHEMBL6835753 0.81 ROCK2 (0.40) ALBROCK2ALDH1A1GRM4
SCHEMBL6833692 0.81 IMPDH2 (0.49) ALBROCK2TRPA1GRM4

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 1 patent. 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

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 ALB 1417/4885PGR 3560/4885ROCK2 4866/4885

“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.