SCHEMBL22605622

SCHEMBL22605622

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCCCC1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.36
▸ CTSK P43235 3/20 0.36
▸ CTSB P07858 2/20 0.36
▸ EED O75530 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ FPR2 P25090 2/20 0.35
▸ REN P00797 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ RRM1 P23921 1/20 0.34
▸ RRM2 P31350 1/20 0.34
▸ RRM2B Q7LG56 1/20 0.34

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
SCHEMBL22605954 0.91 OPRD1 (0.41) CASP3FPR2PTPN1
SCHEMBL22605953 0.91 OPRD1 (0.41) CASP3FPR2PTPN1
SCHEMBL22605956 0.91 FPR2 (0.39) CASP3CTSKCTSBEEDCTSL
SCHEMBL22605955 0.91 FPR2 (0.39) CASP3CTSKCTSBEEDCTSL
SCHEMBL24966009 0.90 CASP3 (0.39) CASP3CTSKCTSBEEDCTSL
SCHEMBL24966013 0.90 CASP3 (0.39) CASP3CTSKCTSBEEDCTSL
SCHEMBL24963329 0.90 CASP3 (0.41) CASP3
SCHEMBL24963330 0.90 CASP3 (0.41) CASP3
SCHEMBL30036228 0.89 ACE (0.40) —
SCHEMBL30036724 0.89 CASP3 (0.42) CASP3PTPN1RRM1RRM2RRM2B

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-20200339623-A1 METHOD FOR PRODUCING PEPTIDE, AND METHOD FOR PROCESSING BASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-10-29 — — 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-20200339623-A1 METHOD FOR PRODUCING PEPTIDE, AND METHOD FOR PROCESSING BASES VIP, NPPA, PTMS CASP3 3776/4885CTSK 1094/4885CTSB 793/4885

“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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