SCHEMBL1792014

SCHEMBL1792014

CCC(NC(=O)C(F)(F)F)c1ccccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.37
RIPK1 Q13546 1/20 0.36
NSD2 O96028 2/20 0.36
KCNA5 P22460 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PARG Q86W56 1/20 0.35

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
SCHEMBL1792013 1.00 USP30 (0.37) USP30RIPK1NSD2KCNA5ALOX5AP
SCHEMBL12611574 0.86 RIPK1 (0.37) RIPK1KCNA5ALDH1A1
SCHEMBL1789975 0.80 KCNA5 (0.45) USP30KCNA5ALDH1A1
SCHEMBL1789973 0.80 KCNA5 (0.45) USP30KCNA5ALDH1A1
SCHEMBL1790761 0.74 NSD2 (0.45) NSD2ALOX5APFEN1ALDH1A1PARG
SCHEMBL1790762 0.74 NSD2 (0.45) NSD2ALOX5APFEN1ALDH1A1PARG
SCHEMBL1789779 0.73 ALDH1A1 (0.55) RIPK1KCNA5ALDH1A1
SCHEMBL1789777 0.73 ALDH1A1 (0.55) RIPK1KCNA5ALDH1A1
SCHEMBL14328457 0.71 NSD2 (0.47) NSD2ALOX5APFEN1ALDH1A1PARG
SCHEMBL8105745 0.70 NSD2 (0.41) USP30NSD2ALOX5APFEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD USP30 4498/4885RIPK1 4378/4885NSD2 844/4885

“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.