SCHEMBL3698756

SCHEMBL3698756

CC(C)(C)OC(=O)[C@@H](C(=O)O)C(N)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
CTSL P07711 1/20 0.50
PNMT P11086 1/20 0.49
KIF11 P52732 3/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
TACR1 P25103 2/20 0.39
RIPK1 Q13546 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL1519859 1.00 SLC7A5 (0.51) SLC7A5CTSLPNMTKIF11PKM
SCHEMBL27720970 0.86 SLC7A5 (0.52) SLC7A5KIF11KDM4ENOS3NOS1
SCHEMBL10560530 0.84 SLC7A5 (0.55) SLC7A5CTSLPNMTKIF11PKM
SCHEMBL17978075 0.84 SLC7A5 (0.55) SLC7A5CTSLPNMTKIF11PKM
SCHEMBL27590159 0.84 CYP3A4 (0.50) SLC7A5PPARAPPARG
SCHEMBL5966604 0.84 CYP3A4 (0.50) SLC7A5PPARAPPARG
SCHEMBL27676957 0.84 SLC7A5 (0.50) SLC7A5CTSLPNMTKIF11PKM
SCHEMBL1519894 0.84 PNMT (0.47) SLC7A5PNMTKIF11KDM4EPPARA
SCHEMBL1519636 0.81 SLC7A5 (0.43) SLC7A5KDM4ERIPK1LTA4H
SCHEMBL29163538 0.80 CTSB (0.50) SLC7A5CTSLPPARAPPARGTACR1

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-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
EP-1604989-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP 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 (1 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 SLC7A5 2667/4885CTSL 3257/4885PNMT 4622/4885

“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.