Sugi Predict

Sugi Predict / Compounds / SCHEMBL542318

SCHEMBL542318

SCHEMBL542318

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.46
▸ NR1H3 Q13133 11/20 0.46
▸ PGR P06401 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RORC P51449 3/20 0.41
▸ MLYCD O95822 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RORA P35398 1/20 0.40
▸ RORB Q92753 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
SCHEMBL1512821 0.92 NR1H2 (0.41) NR1H2NR1H3PGRSMN1; SMN2RORC
SCHEMBL7096170 0.87 NR1H2 (0.47) NR1H2NR1H3PGRSMN1; SMN2RORC
SCHEMBL24242359 0.83 AR (0.38) NR1H2NR1H3PGRSMN1; SMN2
SCHEMBL20472319 0.83 HRH4 (0.46) TSHRMAPK1HSD17B10
SCHEMBL542643 0.82 NR1H2 (0.48) NR1H2NR1H3PGRRORCMLYCD
SCHEMBL27817083 0.81 SMN1; SMN2 (0.42) NR1H2NR1H3SMN1; SMN2RORCMLYCD
SCHEMBL2472992 0.81 PGR (0.49) NR1H2NR1H3PGRRORCMLYCD
SCHEMBL1512343 0.81 NR1H2 (0.46) NR1H2NR1H3PGRRORCMLYCD
SCHEMBL1092812 0.77 PGR (0.46) NR1H2NR1H3PGRRORCMLYCD
SCHEMBL1512743 0.77 PGR (0.46) NR1H2NR1H3PGRRORCMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 — — US disclosed
EP-2493855-B1 (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME (NL) 2014-02-26 — — EP disclosed
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 — — US disclosed
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2012-09-20 — — US disclosed
EP-2493855-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS MSD Oss B.V. (NL) 2012-09-05 — — EP disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 — — US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 — — US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 — — US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 — — US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 — — US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 — — US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 — — US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 — — US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 — — US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 — — US disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — US disclosed
WO-2009144961-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER 興和株式会社 (JP) 2009-12-03 — — WO disclosed
WO-2009138438-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. ORGANON (NL) 2009-11-19 — — WO disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 — — EP disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 — — 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 (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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 NR1H2 1/4885NR1H3 2/4885PGR 2090/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR NR1H2 1/4885NR1H3 2/4885PGR 2003/4885
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES FFAR2, FFAR3, FFAR1 NR1H2 10/4885NR1H3 9/4885PGR 2851/4885
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS TGFB1, FPR1, TGFB2 NR1H2 37/4885NR1H3 41/4885PGR 2620/4885

“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.