SCHEMBL2633273

SCHEMBL2633273

COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCc1ccccc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.51
ERAP2 Q6P179 4/20 0.51
ERAP1 Q9NZ08 3/20 0.51
IL1RN P18510 3/20 0.51
BIRC2 Q13490 1/20 0.50
CAPN1 P07384 2/20 0.49
MMP3 P08254 1/20 0.49
LNPEP Q9UIQ6 3/20 0.48
NPY1R P25929 1/20 0.48
NPY4R P50391 1/20 0.48

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
SCHEMBL17452277 0.93 OPRK1 (0.52) ERAP2ERAP1LNPEP
SCHEMBL85021 0.92 ALDH1A1 (0.57) ERAP2ERAP1IL1RNBIRC2CAPN1
SCHEMBL18257509 0.92 ALDH1A1 (0.57) ERAP2ERAP1IL1RNBIRC2CAPN1
Hydrochloric Acid SCHEMBL17894107 0.91 ERAP2 (0.56) ERAP2ERAP1IL1RNBIRC2CAPN1
Hydrochloric Acid SCHEMBL18171940 0.91 ERAP2 (0.56) ERAP2ERAP1IL1RNBIRC2CAPN1
Hydrochloric Acid SCHEMBL18171932 0.91 ERAP2 (0.56) ERAP2ERAP1IL1RNBIRC2CAPN1
Hydrochloric Acid SCHEMBL17894106 0.91 ERAP2 (0.56) ERAP2ERAP1IL1RNBIRC2CAPN1
SCHEMBL2633272 0.86 CPA1 (0.56) CTSLBIRC2CAPN1MMP3
SCHEMBL2735611 0.85 PSMB5 (0.49) CTSLERAP2ERAP1IL1RNBIRC2
SCHEMBL22472895 0.84 LNPEP (0.53) ERAP2ERAP1LNPEP

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-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 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-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CTSL 187/4885ERAP2 114/4885ERAP1 26/4885

“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.