SCHEMBL6833880

SCHEMBL6833880

COCCOCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.46
RORC P51449 1/20 0.39
ROCK2 O75116 2/20 0.39
CETP P11597 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
NAMPT P43490 2/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
GRM4 Q14833 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 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
SCHEMBL6833234 0.93 KDM4C (0.43) ALBRORCROCK2CETPKDM4C
SCHEMBL6835753 0.88 ROCK2 (0.40) ALBRORCROCK2CETPLMNA
SCHEMBL6817988 0.85 NAMPT (0.43) ALBRORCROCK2NAMPTALDH1A1
SCHEMBL6818253 0.84 ROCK2 (0.42) ALBROCK2LMNATP53MAPT
SCHEMBL6814610 0.82 ROCK2 (0.41) ALBROCK2LMNAALDH1A1TP53
SCHEMBL6835702 0.80 MAPT (0.47) ALBLMNAALDH1A1L3MBTL1TP53
SCHEMBL6835744 0.80 ALB (0.43) ALBROCK2ALDH1A1GRM4
SCHEMBL6814917 0.78 AKR1C2 (0.48) ALBKDM1ALMNATP53MAPT
SCHEMBL7069649 0.78 EPHX1 (0.43) ROCK2ALDH1A1
SCHEMBL6830517 0.78 MAPT (0.51) ALDH1A1TP53MAPT

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 1417/4885RORC 1115/4885ROCK2 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.