SCHEMBL31754345

SCHEMBL31754345

CNC(Cc1ccc(F)nc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
FOLH1 Q04609 6/20 0.40
CPB2 Q96IY4 3/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
EPHX2 P34913 1/20 0.37
ACE P12821 2/20 0.37
MME P08473 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL31754250 0.83 TSHR (0.46) PPARGFOLH1CPB2ITGB1ITGA5
SCHEMBL31688466 0.82 CPB2 (0.59) CPB2CPA1
SCHEMBL31369973 0.82 CPB2 (0.59) CPB2CPA1
SCHEMBL22444704 0.79 KLKB1 (0.48) PPARGALDH1A1ITGB1ITGA5
SCHEMBL21838062 0.79 PPARG (0.42) PPARGCPB2ITGB1ITGA5
SCHEMBL25356796 0.79 KLKB1 (0.48) PPARGALDH1A1ITGB1ITGA5
SCHEMBL29633767 0.79 KLKB1 (0.48) PPARGALDH1A1ITGB1ITGA5
SCHEMBL21838059 0.79 PPARG (0.42) PPARGCPB2ITGB1ITGA5
SCHEMBL30861843 0.79 PPARG (0.42) PPARGCPB2ITGB1ITGA5
SCHEMBL805199 0.79 ALDH1A1 (0.56) PPARGFOLH1ALDH1A1ACEMME

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS PPARG 2133/4885FOLH1 1038/4885CPB2 2599/4885

“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.