SCHEMBL5116201

SCHEMBL5116201

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(Cl)c(S(N)(=O)=O)c4)ccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
CA1 P00915 13/20 0.43
CA2 P00918 13/20 0.43
CA9 Q16790 13/20 0.43
CA12 O43570 3/20 0.43
CA14 Q9ULX7 3/20 0.43
ENPP2 Q13822 1/20 0.40
ENPP3 O14638 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CA7 P43166 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA5B Q9Y2D0 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
SCHEMBL5116059 0.91 PTGS2 (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL5112750 0.90 PTGS2 (0.44) PTGS2CA1CA2CA9CA12
SCHEMBL5115285 0.89 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL1791278 0.88 TP53 (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL5115265 0.88 PIK3CD (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL1792453 0.88 PTGS2 (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL5116734 0.87 KDM4E (0.40) PTGS2CA1CA2CA9CA12
SCHEMBL5123323 0.87 PTGS2 (0.37) PTGS2CA1CA2CA9CA12
SCHEMBL1792908 0.87 PTGS2 (0.43) PTGS2CA1CA2CA9CA12
SCHEMBL1794704 0.87 PTGS2 (0.43) PTGS2CA1CA2CA9CA12

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
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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 (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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PTGS2 1073/4885CA1 4802/4885CA2 4444/4885

“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.