SCHEMBL5115724

SCHEMBL5115724

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(Cl)c(S(=O)(=O)NC5CCNC5)c4)ccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
HDAC4 P56524 1/20 0.36
PIK3CA P42336 1/20 0.35
CNR2 P34972 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CCNK O75909 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
SGK1 O00141 1/20 0.32

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
SCHEMBL14131808 1.00 PTGS2 (0.36) PTGS2HDAC4PIK3CACNR2CA1
SCHEMBL5123323 0.96 PTGS2 (0.37) PTGS2PIK3CACNR2CA1CA2
SCHEMBL14131434 0.93 PTGS2 (0.37) PTGS2HDAC4PIK3CACA1CA2
SCHEMBL5111605 0.93 PTGS2 (0.37) PTGS2HDAC4PIK3CACA1CA2
SCHEMBL12652091 0.90 PTGS2 (0.35) PTGS2HDAC4PIK3CACNR2CA1
SCHEMBL5123216 0.89 PTGS2 (0.38) PTGS2PIK3CACA1CA2CA9
SCHEMBL5123047 0.86 KDM4E (0.39) PTGS2PIK3CACNR2CA1CA2
SCHEMBL5116201 0.86 PTGS2 (0.44) PTGS2CA1CA2CA9CA12
SCHEMBL5115921 0.84 DNMT3A (0.44) CNR2
SCHEMBL5115265 0.81 PIK3CD (0.39) PTGS2PIK3CACNR2CA1CA2

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 2 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-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 1073/4885HDAC4 3964/4885PIK3CA 1550/4885

“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.