SCHEMBL178283

SCHEMBL178283

CCc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.69
ESR2 Q92731 4/20 0.69
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KLF10 Q13118 1/20 0.48
BACE1 P56817 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
CYP2D6 P10635 1/20 0.44
ANO1 Q5XXA6 2/20 0.44
HSD17B1 P14061 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
AR P10275 1/20 0.42
PDE2A O00408 1/20 0.42
NQO2 P16083 1/20 0.42
PTGS1 P23219 1/20 0.41

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
SCHEMBL20958252 0.85 ESR1 (0.65) ESR1ESR2KLF10BACE1CYP2D6
SCHEMBL9861532 0.85 ESR1 (0.65) ESR1ESR2KLF10BACE1CYP2D6
SCHEMBL1400639 0.85 ESR1 (0.51) ESR1ESR2MEN1KMT2AKLF10
SCHEMBL12806555 0.84 ESR1 (0.48) ESR1ESR2MEN1KMT2AANO1
SCHEMBL27675385 0.82 ESR1 (0.54) ESR1ESR2MEN1KMT2AKLF10
SCHEMBL9861430 0.82 ESR1 (0.61) ESR1ESR2KLF10BACE1CYP2D6
SCHEMBL561439 0.82 KLF10 (0.66) ESR1ESR2MEN1KMT2AKLF10
SCHEMBL8062965 0.82 ESR1 (0.71) ESR1ESR2KLF10BACE1CYP2D6
SCHEMBL1229448 0.82 ESR1 (0.71) ESR1ESR2MEN1KMT2AKLF10
SCHEMBL122862 0.82 ESR1 (0.71) ESR1ESR2KLF10BACE1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
EP-3126360-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS Lupin Limited (IN) 2017-02-08 EP disclosed
WO-2015151001-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed
WO-2013013188-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2013-01-24 WO disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 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 (4 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ESR1 2243/4885ESR2 2200/4885MEN1 3578/4885
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A ESR1 4221/4885ESR2 4025/4885MEN1 3401/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ESR1 2475/4885ESR2 2118/4885MEN1 3584/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ESR1 4253/4885ESR2 3918/4885MEN1 1767/4885

“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.