SCHEMBL2076146

SCHEMBL2076146

N[C@@H](Cc1ccccc1)C(=O)OC1CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.70
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 2/20 0.49
DPP4 P27487 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
LTA4H P09960 1/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
FAP Q12884 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
TACR1 P25103 1/20 0.44
SRR Q9GZT4 2/20 0.44
OPRD1 P41143 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
SCHEMBL14095454 1.00 TYR (0.70) TYRALPIPKMPTGS1XIAP
SCHEMBL22593493 0.94 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL215971 0.94 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL1491546 0.94 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL7114295 0.94 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL23642931 0.92 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL22375169 0.92 TYR (0.62) TYRALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL17707256 0.92 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL22375034 0.92 TYR (0.62) TYRALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL5283593 0.92 TYR (0.62) TYRALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135429-A1 The synthesis of cyclopropane amino acids and peptides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-03-27 EP claimed
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 WO claimed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO disclosed
US-4629784-A ENZYME INHIBITORS; HORMONES; STABILIZERS; THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1986-12-16 US disclosed
EP-0135429-A1 The synthesis of cyclopropane amino acids and peptides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-03-27 EP disclosed
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R TYR 1966/4885ALPI 1965/4885PKM 3780/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R TYR 1966/4885ALPI 1965/4885PKM 3780/4885

“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.