SCHEMBL1759486

SCHEMBL1759486

Oc1ccc(-c2cc(F)c(F)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.46
ESR2 Q92731 6/20 0.44
RPS6KA3 P51812 2/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
PTGS2 P35354 2/20 0.40
KIF11 P52732 1/20 0.40
PTGS1 P23219 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
SCHEMBL1760086 0.80 ESR1 (0.53) ESR1ESR2RPS6KA3ABL1ABCB1
SCHEMBL27477478 0.80 AHR (0.60) ESR1ESR2ABL1ABCB1BCR
SCHEMBL27928527 0.80 ESR1 (0.57) ESR1ESR2RPS6KA3ABL1ABCB1
SCHEMBL11693196 0.78 ESR1 (0.52) ESR1ESR2RPS6KA3
SCHEMBL3684267 0.76 ESR1 (0.70) ESR1ESR2PTGS2PTGS1
SCHEMBL7778555 0.76 HSD17B10 (0.54) ESR1ESR2ABL1ABCB1BCR
SCHEMBL1759436 0.75 ESR2 (0.47) ESR1ESR2RPS6KA3ABL1ABCB1
SCHEMBL322288 0.73 ESR1 (0.61) ESR1ESR2RPS6KA3
SCHEMBL17217161 0.73 ESR1 (0.52) ESR1ESR2
SCHEMBL29434869 0.73 ESR1 (0.52) ESR1ESR2

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-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
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
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
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

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 ESR1 2879/4885ESR2 1148/4885RPS6KA3 1212/4885
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL ESR1 2879/4885ESR2 973/4885RPS6KA3 426/4885

“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.