SCHEMBL5111494

SCHEMBL5111494

CCOc1nc(NCCS(N)(=O)=O)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.35
CA2 P00918 4/20 0.35
CA1 P00915 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 3/20 0.34
SGK1 O00141 1/20 0.34
PDE5A O76074 3/20 0.34
SCN9A Q15858 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAP4K4 O95819 1/20 0.32
NOS1 P29475 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
CNR2 P34972 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
SCHEMBL4573181 0.86 MERTK (0.37) PTGS2SCN9AMAP4K4CNR2
SCHEMBL5108200 0.85 CA1 (0.41) CA9CA2CA1PTGS1PTGS2
SCHEMBL4573278 0.84 MAP4K4 (0.42) MAPTRXFP1MAP4K4
SCHEMBL5115054 0.83 CA2 (0.53) CA9CA2CA1PTGS1PTGS2
SCHEMBL5114812 0.83 CA2 (0.53) CA9CA2CA1PTGS1PTGS2
SCHEMBL5123059 0.83 KCNH3 (0.46) PDE5AMAPTMAP4K4CNR2
SCHEMBL4573310 0.82 MAP4K4 (0.36) PDE5ASCN9AMAP4K4CNR2
SCHEMBL5123850 0.82 MAPT (0.43) PTGS1PTGS2MAPT
SCHEMBL5108425 0.81 ACP1 (0.43) MAPTCNR2
SCHEMBL5123349 0.80 PTGS2 (0.55) CA9CA2CA1PTGS1PTGS2

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

“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.