SCHEMBL837353

SCHEMBL837353

CC(C)(C)OC(=O)NNC(=O)Cc1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.45
APLNR P35414 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL837083 0.87 APLNR (0.47) P2RX7APLNRGAA
SCHEMBL26196702 0.81 KCNJ5 (0.49) APLNRGAAPOLB
SCHEMBL14694221 0.81 APLNR (0.40) APLNRGAA
SCHEMBL4708240 0.79 IDO1 (0.50) P2RX7
SCHEMBL25144071 0.78 P2RX7 (0.53) P2RX7TRPV1
SCHEMBL4549800 0.78 KDM4E (0.54) APLNRGAA
SCHEMBL30561258 0.76 CTSS (0.50) APLNRPOLB
SCHEMBL27099063 0.76 CTSS (0.50) APLNRPOLB
SCHEMBL837387 0.76 P2RX7 (0.49) P2RX7TRPV1POLB
SCHEMBL13329827 0.76 P2RX7 (0.52) P2RX7

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-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
EP-1912991-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (3 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 P2RX7 33/4885APLNR 274/4885TRPV1 1181/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH P2RX7 30/4885APLNR 193/4885TRPV1 1166/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 P2RX7 39/4885APLNR 251/4885TRPV1 1297/4885

“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.