SCHEMBL30640771

SCHEMBL30640771

CCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.44
▸ PTGIR P43119 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FABP5 Q01469 3/20 0.40
▸ FABP7 O15540 2/20 0.40
▸ EPHX2 P34913 1/20 0.37
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 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
SCHEMBL29855141 0.91 CASP3 (0.46) CASP3CYP1A2TSHRKMT2AFABP5
SCHEMBL30792872 0.90 PTGIR (0.42) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL31681823 0.89 PTGIR (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL31688526 0.89 PTGIR (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL29267383 0.88 PTGIR (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL29277356 0.88 PTGIR (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL30792910 0.88 PTGIR (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL29267378 0.88 TLR2 (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL29267380 0.88 PTGIR (0.41) CASP3PTGIRKMT2AFABP5FABP7
SCHEMBL29267379 0.88 TLR2 (0.41) CASP3PTGIRKMT2AFABP5FABP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124517-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-18 — — US disclosed
EP-4269422-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-01 — — EP 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-20240124517-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE VIP, NPEPPS, ANPEP CASP3 3884/4885PTGIR 3999/4885CYP1A2 4820/4885

“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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