SCHEMBL4573131

SCHEMBL4573131

O=S(=O)(Nc1c[c]ccc1F)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
KIT P10721 1/20 0.35
CKS1B P61024 2/20 0.34
SKP2 Q13309 2/20 0.34
MRGPRX1 Q96LB2 7/20 0.34
TSPO P30536 2/20 0.34
BRAF P15056 2/20 0.33
MAP2K4 P45985 1/20 0.33
SCN9A Q15858 1/20 0.33
HDAC4 P56524 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL2208298 0.80 KDM1A (0.38) PTGS1PTGS2
SCHEMBL19991848 0.77 PTGS1 (0.37) PTGS1PTGS2CKS1BSKP2MRGPRX1
SCHEMBL14830870 0.76 PSIP1 (0.53) PTGS1PTGS2ALOX5APFEN1CKS1B
SCHEMBL14830605 0.73 MRGPRX1 (0.48) KITMRGPRX1TSPOBRAFMAP2K4
SCHEMBL19991858 0.72 MRGPRX1 (0.34) PTGS1PTGS2KITCKS1BSKP2
SCHEMBL1099375 0.72 HDAC4 (0.47) PTGS1PTGS2KITMAP2K4HDAC4
SCHEMBL2207244 0.71 SLC40A1 (0.46) ACLY
SCHEMBL14830633 0.70 KIT (0.52) KITMRGPRX1TSPOMAP2K4ACLY
SCHEMBL4573296 0.70 HDAC4 (0.43) PTGS1PTGS2KITMAP2K4HDAC4
SCHEMBL14831080 0.68 SCN9A (0.43) PTGS1PTGS2ALOX5APFEN1KIT

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 5 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 claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
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 PTGS1 930/4885PTGS2 1073/4885ALOX5AP 914/4885

“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.