SCHEMBL3708599

SCHEMBL3708599

CC(C)(C)SCC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
CTSL P07711 2/20 0.49
TACR1 P25103 6/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CTSK P43235 1/20 0.45
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7619172 1.00 ACE (0.55) ACECTSLTACR1NPC1RAB9A
SCHEMBL7615303 0.92 ACE (0.56) ACECTSLTACR1CTSK
SCHEMBL3696924 0.92 ACE (0.56) ACECTSLTACR1CTSK
SCHEMBL3702371 0.89 POLB (0.45) ACETACR1PPARGPPARACTSK
SCHEMBL7614061 0.89 POLB (0.45) ACETACR1PPARGPPARACTSK
SCHEMBL3695626 0.89 ACE (0.49) ACETACR1NPC1RAB9APPARA
SCHEMBL7614035 0.89 ACE (0.49) ACETACR1NPC1RAB9APPARA
SCHEMBL7610226 0.87 RAB9A (0.48) CTSLNPC1RAB9APRSS1CTSG
SCHEMBL3692412 0.87 RAB9A (0.48) CTSLNPC1RAB9APRSS1CTSG
SCHEMBL3697165 0.85 TACR1 (0.44) ACECTSLTACR1RAB9APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8624052-B2 S-t-butyl protected cysteine di-peptide analogs and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
EP-2638005-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
WO-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-17 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 (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-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP ACE 1727/4885CTSL 112/4885TACR1 451/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP ACE 1727/4885CTSL 112/4885TACR1 451/4885

“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.