SCHEMBL5116290

SCHEMBL5116290

CS(=O)(=O)CCNc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(F)c(Cl)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.41
CA2 P00918 11/20 0.41
CA9 Q16790 11/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
EGFR P00533 2/20 0.41
ERBB2 P04626 1/20 0.41
MAP3K8 P41279 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
PTGS2 P35354 3/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5121996 0.88 PTGS2 (0.46) CA1CA2CA9CA12CA14
SCHEMBL5112750 0.87 PTGS2 (0.44) CA1CA2CA9CA12CA14
SCHEMBL14131400 0.85 CA1 (0.36) CA1CA2CA9CA12CA14
SCHEMBL5116355 0.82 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL5116062 0.81 PTGS2 (0.46) PTGS2MAPTPTGS1
SCHEMBL5115661 0.80 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL5114632 0.79 PTGS2 (0.42) CA1CA2CA9CA12CA14
SCHEMBL5112686 0.79 IKBKB (0.40) CA1CA2CA9CA12CA14
SCHEMBL1794704 0.79 PTGS2 (0.43) CA1CA2CA9CA12CA14
SCHEMBL5107941 0.78 HPGD (0.41) CA1CA2CA9CA12CA14

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 CA1 4802/4885CA2 4444/4885CA9 4708/4885

“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.