SCHEMBL836280

SCHEMBL836280

N=C(Cc1cc(F)ccc1F)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
DPP4 P27487 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
RIPK1 Q13546 2/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ANO1 Q5XXA6 3/20 0.33
MPO P05164 1/20 0.33

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
SCHEMBL837381 0.82 P2RX7 (0.38) ANO1MMP2MAPTMEN1KMT2A
SCHEMBL641776 0.79 P2RX7 (0.40) MMP2MAPTMEN1KMT2A
SCHEMBL9282256 0.77 TAAR1 (0.42) MAPK8MPOSMN1; SMN2MEN1KMT2A
SCHEMBL10397132 0.73 PYCR1 (0.40) MAPTMEN1KMT2A
SCHEMBL641565 0.72 GAA (0.46) SMN1; SMN2KMT2A
SCHEMBL6858298 0.72 CES2 (0.48) MAPK8DPP4CA3CA6CA5A
SCHEMBL836580 0.72 MAPK8 (0.39) MAPK8SIGMAR1RIPK1
SCHEMBL503667 0.71 TSHR (0.53) MAPK8CA3CA6CA5ACA9
SCHEMBL29471363 0.71 TSHR (0.53) MAPK8CA3CA6CA5ACA9
SCHEMBL28061383 0.71 CES2 (0.47) MAPK8DPP4CA3CA6CA5A

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 6 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

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 MAPK8 1593/4885DPP4 1728/4885CA3 4767/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH MAPK8 1568/4885DPP4 1160/4885CA3 4773/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 MAPK8 1488/4885DPP4 1828/4885CA3 4772/4885

“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.