SCHEMBL25185932

SCHEMBL25185932

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1cc(I)ccc1Br)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL30510222 1.00 CYP1A2 (0.30) CYP1A2TSHR
SCHEMBL25173117 0.89 CETP (0.31) CYP1A2TSHR
SCHEMBL25182298 0.88 PPIA (0.33) CYP1A2TSHR
SCHEMBL30510415 0.88 ALDH1A1 (0.33) CYP1A2TSHR
SCHEMBL25179602 0.88 ALDH1A1 (0.33) CYP1A2TSHR
SCHEMBL25185739 0.82 CTSB (0.37) —
SCHEMBL30510321 0.81 PPARG (0.39) —
SCHEMBL25178742 0.81 PPARG (0.39) —
SCHEMBL25173049 0.81 ALDH1A1 (0.34) CYP1A2
SCHEMBL30510414 0.81 PPARG (0.33) CYP1A2TSHR

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 CYP1A2 4845/4885TSHR 3295/4885

“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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