SCHEMBL25178771

SCHEMBL25178771

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ PLAAT3 P53816 2/20 0.37
▸ PLAAT5 Q96KN8 2/20 0.37
▸ PLAAT2 Q9NWW9 2/20 0.37
▸ PLAAT4 Q9UL19 2/20 0.37
▸ SLC1A5 Q15758 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL30510266 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL25182256 0.90 PLA2G1B (0.39) PLA2G1BHTTL3MBTL1ATG4B
SCHEMBL30510319 0.90 PLA2G1B (0.39) PLA2G1BHTTL3MBTL1ATG4B
SCHEMBL25173040 0.89 PRSS1 (0.39) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL30510294 0.89 PPARG (0.41) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL25178770 0.89 PPARG (0.41) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL30510305 0.88 MEN1 (0.38) KMT2AMEN1MAPTKDM4E
SCHEMBL25178572 0.88 MEN1 (0.38) KMT2AMEN1MAPTKDM4E
SCHEMBL25186430 0.88 TSHR (0.38) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL30510341 0.88 TSHR (0.38) KMT2AMEN1PLAAT3PLAAT5PLAAT2

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 4838/4885KMT2A 3145/4885MEN1 492/4885

“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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