SCHEMBL1229344

SCHEMBL1229344

OC(c1[c]cccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 12/20 0.36
NR1H2 P55055 10/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MLYCD O95822 2/20 0.31
RORA P35398 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
SCHEMBL3707470 0.90 NR1H2 (0.34) NR1H3NR1H2KDM4EMEN1MAPT
SCHEMBL22363134 0.82
SCHEMBL9775224 0.79
SCHEMBL2479302 0.79 HSD11B1 (0.39) NR1H3AR
SCHEMBL22362899 0.78
SCHEMBL2105786 0.77
SCHEMBL5342835 0.77
SCHEMBL1845820 0.77
SCHEMBL612730 0.77 ESR1 (0.30)
SCHEMBL4269 0.77 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061254-A Use of pesticidal active carboxamide derivative in soil and seed application and treatment methods 巴斯夫农业化学品有限公司 2016-10-26 CN claimed
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 claimed
EP-2373169-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
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 claimed
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
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 claimed
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 claimed
EP-2373169-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2011-10-12 EP claimed
WO-2011051282-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 N.V. ORGANON (NL) 2011-05-05 WO claimed
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2010-09-02 US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2018-03-29 US disclosed
US-9796718-B2 6-(benzo[d]thiazol-5-yl)-n-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine GILEAD CONNECTICUT, INC. (US) 2017-10-24 US disclosed
EP-3123864-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2017-02-01 EP disclosed
EP-2716157-B1 Imidazopyrazine Syk inhibitors GILEAD CONNECTICUT INC (US) 2016-05-18 EP disclosed
US-20110033799-A1 PATTERN FORMING PROCESS, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND RESIST-MODIFYING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US disclosed
US-20100297563-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2010-09-02 US disclosed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
EP-0026289-A1 Antihypertensive polyhalohydroxyisopropyl phenylalkanoic and phenylalkenoic acids, amides and esters, pharmaceutical compositions therefrom and intermediates thereto E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-08 EP 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-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NR1H3 3920/4885NR1H2 3147/4885KDM4E 1611/4885
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NR1H3 3920/4885NR1H2 3147/4885KDM4E 1611/4885
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 NR1H3 41/4885NR1H2 37/4885KDM4E 2324/4885
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NR1H3 3920/4885NR1H2 3147/4885KDM4E 1611/4885

“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.