SCHEMBL30802540

SCHEMBL30802540

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1cccc(OC(F)(F)F)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ CETP P11597 6/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ PTGIR P43119 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL25178341 1.00 ITGB3 (0.39) ITGB3ITGA2BTRPM8MAPK14CETP
SCHEMBL29854947 1.00 ITGB3 (0.39) ITGB3ITGA2BTRPM8MAPK14CETP
SCHEMBL25179569 1.00 ITGB3 (0.39) ITGB3ITGA2BTRPM8MAPK14CETP
SCHEMBL25357591 0.92 ITGB3 (0.40) ITGB3ITGA2BCETPEPHX2
SCHEMBL25357586 0.92 ITGB3 (0.40) ITGB3ITGA2BCETPEPHX2
SCHEMBL29855055 0.90 ITGB3 (0.45) ITGB3ITGA2BFPR2EPHX1KCNH2
SCHEMBL25185646 0.90 ITGB3 (0.45) ITGB3ITGA2BFPR2EPHX1KCNH2
SCHEMBL25185647 0.90 ITGB3 (0.45) ITGB3ITGA2BFPR2EPHX1KCNH2
SCHEMBL29633961 0.89 FABP5 (0.40) ITGB3ITGA2BEPHX2
SCHEMBL30767796 0.89 FABP5 (0.40) ITGB3ITGA2BEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 — — US disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 — — CN 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-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS ITGB3 4650/4885ITGA2B 4792/4885TRPM8 818/4885

“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.

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