SCHEMBL92792

SCHEMBL92792

CCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MMP3 P08254 5/20 0.49
MMP2 P08253 1/20 0.49
CAPN1 P07384 3/20 0.48
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
MMP9 P14780 1/20 0.47
PSMB5 P28074 3/20 0.47
BIRC2 Q13490 1/20 0.46

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
SCHEMBL17948531 0.90 ERAP2 (0.50) MMP3MMP2CAPN1IL1RNERAP2
SCHEMBL10105785 0.88 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL19762061 0.87 ALDH1A1 (0.66) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL2606643 0.87 ALDH1A1 (0.66) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL2605618 0.86 REN (0.56)
SCHEMBL92790 0.85 PSMB5 (0.52) PSMB5
SCHEMBL92794 0.85 PSMB5 (0.52) IL1RNERAP2ERAP1PSMB5
SCHEMBL2633286 0.84 ALDH1A1 (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10105765 0.84 ALDH1A1 (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10087282 0.84 MME (0.60) MMP3MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207297-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8129346-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
US-20080200398-A1 Compounds For Enzyme Inhibition PROTEOLIX, INC. (US) 2008-08-21 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 (2 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-20080200398-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885THRB 2511/4885CYP2C9 1013/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885THRB 2511/4885CYP2C9 1013/4885

“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.