SCHEMBL1759436

SCHEMBL1759436

Cc1cc(F)c(F)cc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.47
HSD17B1 P14061 1/20 0.44
ESR1 P03372 9/20 0.44
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 3/20 0.41
RPS6KA3 P51812 2/20 0.41
GAA P10253 1/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL28049598 0.85 ESR2 (0.42) ESR2HSD17B1ESR1APPCYP3A4
SCHEMBL27884914 0.85 USP7 (0.43) ESR2HSD17B1ESR1APPCYP3A4
SCHEMBL10190451 0.84 ESR2 (0.56) ESR2HSD17B1ESR1GAAABL1
SCHEMBL29929314 0.82 ESR2 (0.54) ESR2HSD17B1ESR1GAAABL1
SCHEMBL1760086 0.80 ESR1 (0.53) ESR2ESR1APPCYP3A4CYP2C9
SCHEMBL28204878 0.80 ESR2 (0.52) ESR2HSD17B1ESR1GAAABL1
SCHEMBL27928527 0.80 ESR1 (0.57) ESR2ESR1APPCYP3A4CYP2C9
SCHEMBL17625680 0.78 GAA (0.54) ESR2HSD17B1ESR1CYP3A4CYP2C9
SCHEMBL15929640 0.78 ACHE (0.59) ESR2HSD17B1ESR1CYP2C19GAA
SCHEMBL11693574 0.78 ESR2 (0.55) ESR2HSD17B1ESR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057993-A1 INDAZOLONE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 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 (2 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-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL ESR2 1148/4885HSD17B1 52/4885ESR1 2879/4885
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL ESR2 973/4885HSD17B1 34/4885ESR1 2879/4885

“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.