SCHEMBL7930466

SCHEMBL7930466

CCOC(=O)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
Benzoic Acid SCHEMBL28107944 0.92 MEN1 (0.48) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL14382169 0.87 LMNA (0.49) NPC1KMT2AATML3MBTL1SMN1; SMN2
SCHEMBL28128135 0.85 ESR1 (0.47) KMT2AL3MBTL1SMN1; SMN2KDM4ETSHR
SCHEMBL803808 0.84 ATM (0.65) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL803886 0.84 ATM (0.65) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL15660340 0.83 LMNA (0.49) MEN1NPC1KMT2ASMN1; SMN2KDM4E
Aspirin SCHEMBL28107945 0.83 KDM4E (0.57) MMP8MEN1KMT2AKDM4ETSHR
SCHEMBL28128134 0.83 HIF1A (0.40) MMP8KDM4ETSHRGAA
SCHEMBL28620584 0.83 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL9063308 0.82 L3MBTL1 (0.45) KMT2AATML3MBTL1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985241-A Inhibition effect of [alpha]-substituted phenyl acetate compounds on [alpha]-glycosidase and application of the compounds 邵阳学院 2016-10-05 CN claimed
CN-108699106-B Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors 豪夫迈·罗氏有限公司 2021-11-30 CN disclosed
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 US disclosed
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 US disclosed
EP-3423469-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-01-09 EP disclosed
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-12-27 US disclosed
CN-105985241-A Inhibition effect of [alpha]-substituted phenyl acetate compounds on [alpha]-glycosidase and application of the compounds 邵阳学院 2016-10-05 CN disclosed
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed
CN-104230667-A Preparation method of R-3, 5-bis (trifluoromethyl) phenyl ethanol WANG JIKUAN 2014-12-24 CN disclosed
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 CN disclosed
CN-101652066-A hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists MERCK & CO INC US 2010-02-17 CN disclosed
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN disclosed
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP disclosed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US disclosed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 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 (2 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-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR3E, HTR1F MMP8 3076/4885PIN1 4498/4885MEN1 1631/4885
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR3E, HTR1F MMP8 3076/4885PIN1 4498/4885MEN1 1631/4885

“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.