SCHEMBL30767796

SCHEMBL30767796

COc1cccc(C[C@@H](C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAOB P27338 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HIF1A Q16665 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.37
MDM2 Q00987 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
SCHEMBL29633961 1.00 FABP5 (0.40) FABP5ITGB3ITGA2BRAB9ATAAR1
SCHEMBL30510338 1.00 FABP5 (0.40) FABP5ITGB3ITGA2BRAB9ATAAR1
SCHEMBL31369777 0.90 FABP5 (0.39) FABP5RAB9AEPHX2MDM2
SCHEMBL29634040 0.90 FABP5 (0.39) FABP5RAB9AEPHX2MDM2
SCHEMBL25357591 0.89 ITGB3 (0.40) FABP5ITGB3ITGA2BEPHX2
SCHEMBL25357586 0.89 ITGB3 (0.40) FABP5ITGB3ITGA2BEPHX2
SCHEMBL6318711 0.89 ITGB3 (0.45) FABP5ITGB3ITGA2BMDM2
SCHEMBL25358372 0.89 ITGB3 (0.45) FABP5ITGB3ITGA2BMDM2
SCHEMBL29633734 0.89 ITGB3 (0.45) FABP5ITGB3ITGA2BMDM2
SCHEMBL29981783 0.89 ITGB3 (0.45) FABP5ITGB3ITGA2BMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP 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 (3 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-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS FABP5 4094/4885ITGB3 4849/4885ITGA2B 4821/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS FABP5 4026/4885ITGB3 4650/4885ITGA2B 4792/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS FABP5 4094/4885ITGB3 4849/4885ITGA2B 4821/4885

“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.