SCHEMBL25178701

SCHEMBL25178701

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1c(F)cccc1F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 8/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGB1 P05556 2/20 0.33
▸ ITGA4 P13612 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ TACR3 P29371 1/20 0.32
▸ CTRB1 P17538 1/20 0.32

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
SCHEMBL30510268 1.00 PPIA (0.34) PPIAMEN1KMT2AITGB1ITGA4
SCHEMBL27215385 0.89 PPIA (0.41) PPIAMEN1KMT2AITGB1ITGA4
SCHEMBL25186515 0.89 PPIA (0.41) PPIAMEN1KMT2AITGB1ITGA4
SCHEMBL30510418 0.88 PPIA (0.37) PPIAKMT2AITGB1ITGA4CYP1A2
SCHEMBL5407004 0.84 CTRB1 (0.40) ITGB1ITGA4CYP1A2TSHRPPARG
SCHEMBL4600752 0.84 CTRB1 (0.40) ITGB1ITGA4CYP1A2TSHRPPARG
SCHEMBL30510366 0.84 CTRB1 (0.40) ITGB1ITGA4CYP1A2TSHRPPARG
SCHEMBL4600067 0.84 CTRB1 (0.40) ITGB1ITGA4CYP1A2TSHRPPARG
SCHEMBL25185914 0.84 ITGB1 (0.39) ITGB1ITGA4PPARGPPARACTRB1
SCHEMBL25186573 0.84 SLC1A1 (0.41) MEN1KMT2ACYP1A2PPARGPPARA

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-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 (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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS PPIA 749/4885MEN1 492/4885KMT2A 3145/4885

“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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