SCHEMBL25177919

SCHEMBL25177919

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1cc(Cl)cc(I)c1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ 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
SCHEMBL31355073 1.00 C5AR1 (0.33) C5AR1ADAMTS5MAPTTACR1KMT2A
SCHEMBL30510300 0.93 TACR1 (0.36) C5AR1ADAMTS5MAPTTACR1KMT2A
SCHEMBL25183068 0.93 TACR1 (0.36) C5AR1ADAMTS5MAPTTACR1KMT2A
SCHEMBL30510325 0.88 PSEN1 (0.34) MAPTKMT2APPARGPPARA
SCHEMBL25179483 0.88 PSEN1 (0.34) MAPTKMT2APPARGPPARA
SCHEMBL30510286 0.88 GPR139 (0.35) C5AR1PPARGPPARA
SCHEMBL27078243 0.88 GPR139 (0.35) C5AR1PPARGPPARA
SCHEMBL25182256 0.87 PLA2G1B (0.39) ADAMTS5
SCHEMBL30510319 0.87 PLA2G1B (0.39) ADAMTS5
SCHEMBL25185739 0.87 CTSB (0.37) MAPTPPARGPPARA

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 C5AR1 1047/4885ADAMTS5 3659/4885MAPT 4527/4885

“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.

Send feedback