SCHEMBL24965116

SCHEMBL24965116

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCCC1)N(C)C(=O)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(C)(Cc1ccccc1)N(C)C(=O)C(F)(F)F)C(=O)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MMP13 P45452 1/20 0.33
CASP3 P42574 2/20 0.32
FPR2 P25090 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EED O75530 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
F2 P00734 1/20 0.32
NFKB1 P19838 1/20 0.32
PSMB5 P28074 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL24966028 0.97 MMP13 (0.34) CCKBRCTSBCTSSCTSKMMP13
SCHEMBL24966026 0.97 MMP13 (0.34) CCKBRCTSBCTSSCTSKMMP13
SCHEMBL24965199 0.87 CMA1 (0.35) CCKBRCTSBCTSSCTSKCASP3
SCHEMBL24963318 0.84 RRM1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24963320 0.84 RRM1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966001 0.83 RRM1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966002 0.83 RRM1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966006 0.83 CMA1 (0.36) CCKBRCTSBCTSSCTSKCASP3
SCHEMBL24966005 0.83 CMA1 (0.36) CCKBRCTSBCTSSCTSKCASP3
SCHEMBL24964943 0.82 CCKBR (0.37) CCKBRMMP13CASP3FPR2CHRM2

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-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-26 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-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID DNPEP, VIP, NPEPPS CCKBR 196/4885CTSB 851/4885CTSS 1507/4885

“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.