SCHEMBL3336145

SCHEMBL3336145

O=S(=O)(Nc1cc(B(O)O)ccc1F)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.38
MRGPRX1 Q96LB2 7/20 0.37
TSPO P30536 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
ACLY P53396 1/20 0.36
JAK2 O60674 2/20 0.36
BRD4 O60885 2/20 0.36
KIT P10721 1/20 0.35
TLR4 O00206 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PGAM1 P18669 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL392787 0.81 KDM1A (0.45) KDM1AMAOAACLYBRD4
SCHEMBL14830605 0.80 MRGPRX1 (0.48) BRAFMRGPRX1TSPOACLYKIT
SCHEMBL14829875 0.79 MAP2K4 (0.44) KIT
SCHEMBL15847815 0.77 ACLY (0.51) BRAFMRGPRX1TSPOACLYJAK2
SCHEMBL17465678 0.75 ACLY (0.41) BRAFMRGPRX1TSPOKDM1AMAOA
SCHEMBL18341418 0.74 HDAC4 (0.47) JAK2BRD4KITPTGS1PTGS2
SCHEMBL15847427 0.73 ACLY (0.54) BRAFMRGPRX1TSPOACLYTLR4
SCHEMBL29554673 0.73 OPRM1 (0.45) KITPTGS1PTGS2
SCHEMBL520518 0.73 OPRM1 (0.45) KITPTGS1PTGS2
SCHEMBL14830870 0.73 PSIP1 (0.53) MRGPRX1TSPOALOX5APFEN1PTGS1

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-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 BRAF 2516/4885MRGPRX1 916/4885TSPO 3776/4885

“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.