SCHEMBL5020063

SCHEMBL5020063

CCC(=O)N[C@@H](CSC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE P12821 1/20 0.44
MBTPS1 Q14703 1/20 0.43
POLB P06746 2/20 0.43
SYK P43405 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MME P08473 1/20 0.40
ANPEP P15144 1/20 0.40
PSMB5 P28074 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
SCHEMBL3697165 1.00 TACR1 (0.44) TACR1GAARAB9AKMT2AACE
SCHEMBL5020110 0.87 POLB (0.48) TACR1GAARAB9AKMT2AACE
SCHEMBL7619172 0.85 ACE (0.55) TACR1RAB9AACECTSLPPARG
SCHEMBL3708599 0.85 ACE (0.55) TACR1RAB9AACECTSLPPARG
SCHEMBL3695626 0.84 ACE (0.49) TACR1RAB9AKMT2AACEPPARA
SCHEMBL3701701 0.84 PSMB5 (0.50) TACR1KMT2ACTSLCTSBALDH1A1
SCHEMBL7614035 0.84 ACE (0.49) TACR1RAB9AKMT2AACEPPARA
SCHEMBL7617954 0.84 PSMB5 (0.50) TACR1KMT2ACTSLCTSBALDH1A1
SCHEMBL11940464 0.81 CASP1 (0.52) TACR1GAARAB9AKMT2AACE
SCHEMBL13050803 0.81 GAA (0.50) TACR1GAARAB9AKMT2AACE

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-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
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 TACR1 451/4885GAA 2607/4885RAB9A 1122/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP TACR1 451/4885GAA 2607/4885RAB9A 1122/4885

“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.