SCHEMBL10105751

SCHEMBL10105751

COC(=O)[C@H](CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.47
CPA2 P48052 2/20 0.47
CPA4 Q9UI42 2/20 0.47
CTSL P07711 5/20 0.45
CTSB P07858 2/20 0.45
MMP2 P08253 2/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP8 P22894 1/20 0.42
PSMB5 P28074 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP3A43 Q9HB55 1/20 0.42
BIRC2 Q13490 1/20 0.41
MMP3 P08254 1/20 0.41

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
SCHEMBL8270565 0.89 CTSL (0.43) CTSLCTSBMMP2BIRC2MMP3
SCHEMBL8270566 0.86 CTSS (0.42) ALDH1A1MMP8
SCHEMBL2633292 0.85 GNPAT (0.48) CPA1CPA2CPA4MMP2MMP12
SCHEMBL19546020 0.84 CA12 (0.40) ALDH1A1
SCHEMBL2632702 0.84 CPA1 (0.55) CPA1CPA2CPA4CTSLMMP2
SCHEMBL2735610 0.83 PSMB5 (0.52) CPA1CPA2CPA4CTSLCTSB
SCHEMBL2633272 0.83 CPA1 (0.56) CPA1CPA2CPA4CTSLMMP2
SCHEMBL2632716 0.82 CPA1 (0.49) CPA1CPA2CPA4CTSLCTSB
SCHEMBL2633304 0.82 REN (0.43) CPA1CPA2CPA4BIRC2
SCHEMBL14232442 0.82 REN (0.43) CPA1CPA2CPA4BIRC2

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-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 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-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 CPA1 142/4885CPA2 276/4885CPA4 314/4885

“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.