SCHEMBL25179602

SCHEMBL25179602

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1cc(I)ccc1Cl)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ NPSR1 Q6W5P4 4/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ FABP7 O15540 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30
▸ ITGB7 P26010 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
SCHEMBL30510415 1.00 ALDH1A1 (0.33) ALDH1A1HPGDAKR1C3AKR1C2PPARG
SCHEMBL25178742 0.90 PPARG (0.39) ALDH1A1HPGDPPARGPPARANPSR1
SCHEMBL30510321 0.90 PPARG (0.39) ALDH1A1HPGDPPARGPPARANPSR1
SCHEMBL25173117 0.89 CETP (0.31) PPARGPPARACYP1A2TSHR
SCHEMBL30510351 0.88 MAPT (0.35) ALDH1A1HPGDMAPTMAPK1CYP1A2
SCHEMBL25185932 0.88 CYP1A2 (0.30) CYP1A2TSHR
SCHEMBL30510222 0.88 CYP1A2 (0.30) CYP1A2TSHR
SCHEMBL25182298 0.88 PPIA (0.33) PPARGPPARAFABP5CYP1A2TSHR
SCHEMBL25185739 0.82 CTSB (0.37) PPARGPPARAMAPT
SCHEMBL25177919 0.82 C5AR1 (0.33) PPARGPPARAMAPTCYP1A2TSHR

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 ALDH1A1 4838/4885HPGD 3382/4885AKR1C3 3939/4885

“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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