SCHEMBL6834003

SCHEMBL6834003

COCC1CCCN1S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)sc1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.42
CASP3 P42574 18/20 0.41
CASP7 P55210 17/20 0.41
CASP9 P55211 1/20 0.38

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
SCHEMBL6830587 0.92 ALB (0.44) ALB
SCHEMBL6818191 0.90 ALB (0.42) ALB
SCHEMBL6821795 0.90 KMT2A (0.43) ALB
SCHEMBL6830277 0.90 ALB (0.45) ALB
SCHEMBL6830175 0.88 ALB (0.46) ALB
SCHEMBL6351250 0.83 ALB (0.60) ALBCASP3CASP7CASP9
SCHEMBL6932502 0.82 ALB (0.54) ALB
SCHEMBL6930797 0.82 ALB (0.53) ALB
SCHEMBL6833363 0.82 ALB (0.46) ALB
SCHEMBL6817870 0.81 ALB (0.51) ALB

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 1417/4885CASP3 137/4885CASP7 141/4885

“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.