SCHEMBL5121996

SCHEMBL5121996

CS(=O)(=O)CCNc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
PTGS1 P23219 1/20 0.46
CA2 P00918 14/20 0.44
CA9 Q16790 13/20 0.44
CA1 P00915 13/20 0.44
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 2/20 0.41
CA14 Q9ULX7 1/20 0.41
CA4 P22748 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL5116062 0.93 PTGS2 (0.46) PTGS2PTGS1MAPTTLR8TLR7
SCHEMBL5112682 0.89 CA2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL5115264 0.89 CA2 (0.55) PTGS2PTGS1CA2CA9CA1
SCHEMBL5116290 0.88 CA1 (0.41) PTGS2PTGS1CA2CA9CA1
SCHEMBL5121576 0.88 PTGS2 (0.40) PTGS2PTGS1TLR8TLR7
SCHEMBL5114436 0.85 PTGS2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL5112341 0.85 PTGS2 (0.48) PTGS2PTGS1CA2CA9CA1
SCHEMBL5112686 0.85 IKBKB (0.40) PTGS2CA2CA9CA1KDM4E
SCHEMBL5107941 0.84 HPGD (0.41) CA2CA9CA1KDM4ENPC1
SCHEMBL14131775 0.84 KDM4E (0.39) PTGS2CA2CA9CA1KDM4E

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 1073/4885PTGS1 930/4885CA2 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.