SCHEMBL854912

SCHEMBL854912

C=C(c1cc(Br)cc(Br)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL2010985 0.86 NOTUM (0.31) NOTUM
SCHEMBL116615 0.79 C1S (0.47)
SCHEMBL14955973 0.77
SCHEMBL16650 0.76 CES2 (0.42)
SCHEMBL14956150 0.76
SCHEMBL14956085 0.76
SCHEMBL540172 0.73 CES1 (0.44)
SCHEMBL112183 0.71 TPMT (0.41)
SCHEMBL12571890 0.71 TPMT (0.41)
SCHEMBL112329 0.71 CES2 (0.54) NOTUM

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108598-B Thiazoles as Ror gamma t modulators 詹森药业有限公司 2020-11-17 CN disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-10080744-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-09-25 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
EP-3212641-A1 THIAZOLES AS MODULATORS OF RORyt Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 EP disclosed
WO-2016069976-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-7964758-B2 Process for production of 2-(substituted phenyl)-3,3,3-trifluoropropene compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US disclosed
US-7964758-B2 Process for production of 2-(substituted phenyl)-3,3,3-trifluoropropene compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 US disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 US disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 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 (7 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-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA NOTUM 2564/4885GABRA1 1980/4885GABRB1 1932/4885
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 NOTUM 1692/4885GABRA1 2024/4885GABRB1 1696/4885
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 NOTUM 1204/4885GABRA1 494/4885GABRB1 215/4885
US-10080744-B2 Thiazoles as modulators of RORγt RORB, RORA, RORC NOTUM 2794/4885GABRA1 959/4885GABRB1 1070/4885
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound PEX3, SCO2, LPO NOTUM 828/4885GABRA1 3416/4885GABRB1 3187/4885
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 NOTUM 748/4885GABRA1 2914/4885GABRB1 2233/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA NOTUM 2810/4885GABRA1 1893/4885GABRB1 1905/4885

“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.