SCHEMBL2080679

SCHEMBL2080679

CCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 12/20 0.56
▸ NR1H2 P55055 11/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RORC P51449 2/20 0.47
▸ RORA P35398 1/20 0.46
▸ MLYCD O95822 3/20 0.44

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
SCHEMBL18893587 0.87 NR1H3 (0.56) NR1H3NR1H2SMN1; SMN2RORCRORA
SCHEMBL4427665 0.84 NR1H2 (0.55) NR1H3NR1H2SMN1; SMN2RORCMLYCD
SCHEMBL4597093 0.83 HSD11B1 (0.44) NR1H3NR1H2SMN1; SMN2
Hydrochloric Acid SCHEMBL4881350 0.82 NR1H2 (0.54) NR1H3NR1H2SMN1; SMN2RORCMLYCD
SCHEMBL2077709 0.81 SMN1; SMN2 (0.51) NR1H3NR1H2SMN1; SMN2RORCRORA
SCHEMBL13798571 0.80 MAPT (0.40) NR1H3NR1H2SMN1; SMN2RORC
SCHEMBL10721177 0.80 ESR1 (0.45) NR1H3NR1H2SMN1; SMN2
SCHEMBL1797711 0.79 KIF11 (0.52) SMN1; SMN2
SCHEMBL12403856 0.78 SMN1; SMN2 (0.58) NR1H3NR1H2SMN1; SMN2RORCRORA
Iodide SCHEMBL29229874 0.78 KIF11 (0.50) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 — — CN disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 — — EP disclosed
US-20180258133-A1 MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA ORPHAGEN PHARMACEUTICALS INC (US) 2018-09-13 — — US disclosed
US-20170267712-A1 MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA ORPHAGEN PHARMACEUTICALS INC (US) 2017-09-21 — — US disclosed
US-20170267712-A1 MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA ORPHAGEN PHARMACEUTICALS INC (US) 2017-09-21 — — US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 — — US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 — — US disclosed
US-9657053-B2 Modulators of retinoid-related orphan receptor gamma Orphagen Pharmaceuticals (US) 2017-05-23 — — US disclosed
US-9657053-B2 Modulators of retinoid-related orphan receptor gamma Orphagen Pharmaceuticals (US) 2017-05-23 — — US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 — — US disclosed
US-20100004297-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES DEHMLOW HENRIETTA 2010-01-07 — — US disclosed
US-7608721-B2 Hexafluoroisopropanol derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-27 — — US disclosed
US-20080096937-A1 Novel hexafluoroisopropanol derivatives DEHMLOW HENRIETTA 2008-04-24 — — US disclosed
US-20070213377-A1 Novel hexafluoroisopropanol derivatives DEHMLOW HENRIETTA 2007-09-13 — — US disclosed
US-7259178-B2 Containing an oxazole ring, e.g., 1,1,1,3,3,3-Hexafluoro-2-{4-[[5-methyl-2-(3-trifluoromethyl-phenyl)-oxazol-4-ylmethyl]-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-propan-2-ol; the compounds bind to and selectively activate LXR alpha and LXR beta; used to treat diseases such as atherosclerosis and diabetes HOFFMANN-LA ROCHE INC. (US) 2007-08-21 — — US disclosed
CN-1972897-A Novel hexafluoroisopropanol derivative HOFFMANN LA ROCHE (CH) 2007-05-30 — — CN disclosed
EP-1763502-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 — — EP disclosed
US-20060004068-A1 Novel hexafluoroisopropanol derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — US disclosed
WO-2006000323-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO disclosed
US-4218448-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 — — 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 (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-20180258133-A1 MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA RORC, RORB, RORA NR1H3 12/4885NR1H2 11/4885SMN1; SMN2 3335/4885
US-20070213377-A1 Novel hexafluoroisopropanol derivatives NR1H3, NR1H2, NR1I2 NR1H3 1/4885NR1H2 2/4885SMN1; SMN2 4516/4885
US-20100004297-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES NR1H3, NR1H2, NR1I2 NR1H3 1/4885NR1H2 2/4885SMN1; SMN2 4516/4885
US-20080096937-A1 Novel hexafluoroisopropanol derivatives NR1H3, NR1H2, NR1I2 NR1H3 1/4885NR1H2 2/4885SMN1; SMN2 4516/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB NR1H3 14/4885NR1H2 18/4885SMN1; SMN2 3833/4885
US-20060004068-A1 Novel hexafluoroisopropanol derivatives NR1H3, NR1H2, NR1I2 NR1H3 1/4885NR1H2 2/4885SMN1; SMN2 4516/4885
US-20170267712-A1 MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA RORC, RORB, RORA NR1H3 12/4885NR1H2 11/4885SMN1; SMN2 3335/4885

“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.

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