SCHEMBL2633304

SCHEMBL2633304

CCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.43
KISS1R Q969F8 1/20 0.42
CBX4 O00257 2/20 0.41
CBX7 O95931 2/20 0.41
CDYL2 Q8N8U2 2/20 0.41
CBX8 Q9HC52 2/20 0.41
BIRC2 Q13490 1/20 0.41
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
CPA1 P15085 2/20 0.40
CPA2 P48052 2/20 0.40
CPA4 Q9UI42 2/20 0.40
GNPAT O15228 1/20 0.40
CPB1 P15086 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL14232442 1.00 REN (0.43) RENKISS1RCBX4CBX7CDYL2
SCHEMBL2633292 0.87 GNPAT (0.48) KISS1RCPA1CPA2CPA4GNPAT
SCHEMBL2633286 0.84 ALDH1A1 (0.50) RENCPA1CPA2CPA4GNPAT
SCHEMBL10105765 0.84 ALDH1A1 (0.50) RENCPA1CPA2CPA4GNPAT
SCHEMBL2632699 0.83 CPA1 (0.41) CPA1CPA2CPA4CTSK
SCHEMBL10105751 0.82 CPA1 (0.47) BIRC2CPA1CPA2CPA4
SCHEMBL2632731 0.79 CPA1 (0.50) CPA1CPA2CPA4CTSK
SCHEMBL2633287 0.78 PSMB5 (0.52)
SCHEMBL8281554 0.78 REN (0.62) RENCTSK
SCHEMBL10105787 0.78 PSMB5 (0.46)

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 3 patents. 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
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO 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-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 REN 600/4885KISS1R 3771/4885CBX4 2114/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 REN 600/4885KISS1R 3771/4885CBX4 2114/4885

“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.