SCHEMBL6604550

SCHEMBL6604550

CC(=O)c1ccccc1C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.50
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
PDK2 Q15119 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL279655 0.81 ALDH1A1 (0.53) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5079740 0.80 PDK2 (0.42) MAPK1PDK2PDK1PDK3PDK4
SCHEMBL1791035 0.80 ALDH1A1 (0.64) CES1HTTMAPK1PLA2G2DKDM4E
SCHEMBL1199962 0.78 CES1 (0.50) CES1HTTMAPK1PLA2G2DALDH1A1
SCHEMBL29645048 0.78 CES1 (0.50) CES1HTTMAPK1PLA2G2DALDH1A1
SCHEMBL4866095 0.78 KDM4E (0.50) CES1HTTMAPK1PDK2PLA2G2D
SCHEMBL7596837 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9008317 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11373632 0.78 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
Ethane SCHEMBL20186012 0.77 CES1 (0.48) CES1HTTMAPK1PLA2G2DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906534-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2016-12-07 EP disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
EP-2906534-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2015-08-19 EP disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
WO-2014032801-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2014-03-06 WO disclosed
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
US-6498174-B1 AGONISTS TO PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; MODULATING BLOOD GLUCOSE AND LIPID LEVELS; REDUCING DYSLIPIDEMIA AND HYPERINSULINEMIA ASSOCIATED WITH IMPAIRED GLUCOSE TOLERANCE OR METABOLIC SYNDROME SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 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 (1 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-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G CES1 2515/4885HTT 906/4885MAPK1 3492/4885

“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.