SCHEMBL6834232

SCHEMBL6834232

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.53
PPARD Q03181 11/20 0.53
PPARA Q07869 10/20 0.53
ALB P02768 1/20 0.46
TP53 P04637 2/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C1 Q04828 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6834196 0.89 ALB (0.44) PPARGPPARDPPARAALBAKR1C3
SCHEMBL6932502 0.86 ALB (0.54) ALBTP53MEN1KMT2AMAPT
SCHEMBL6930797 0.85 ALB (0.53) ALBTP53MEN1KMT2AMAPT
SCHEMBL6818779 0.85 ALB (0.51) ALBTP53MEN1KMT2AMAPT
SCHEMBL6835846 0.84 ALB (0.66) ALBTP53MEN1KMT2AMAPT
SCHEMBL6817870 0.83 ALB (0.51) ALBTP53MEN1KMT2AMAPT
SCHEMBL6814358 0.83 ALB (0.51) ALBTP53MEN1KMT2AMAPT
SCHEMBL6834002 0.83 MAPT (0.52) ALBTP53MEN1KMT2AMAPT
SCHEMBL6835705 0.82 ALB (0.47) PPARGPPARDPPARAALBTP53
SCHEMBL7064764 0.82 ALB (0.46) PPARGPPARDPPARAALBMEN1

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 PPARG 285/4885PPARD 123/4885PPARA 134/4885

“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.