SCHEMBL25657516

SCHEMBL25657516

Cc1cccc(C[C@@H](C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
CASP3 P42574 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL29633964 1.00 EPHX2 (0.39) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL30510283 1.00 EPHX2 (0.39) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL30767792 1.00 EPHX2 (0.39) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL27147107 1.00 EPHX2 (0.39) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL29398902 0.90 ITGB3 (0.45) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL120592 0.90 ITGB3 (0.45) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL30510296 0.90 ITGB3 (0.45) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL120595 0.90 ITGB3 (0.45) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL29400893 0.90 ITGB3 (0.45) EPHX2ITGB3ITGA2BFABP5FABP7
SCHEMBL118926 0.90 ITGB3 (0.45) EPHX2ITGB3ITGA2BFABP5FABP7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 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 (2 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS EPHX2 3594/4885ITGB3 4849/4885ITGA2B 4821/4885
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS EPHX2 3517/4885ITGB3 4817/4885ITGA2B 4589/4885

“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.