SCHEMBL5574337

SCHEMBL5574337

O=C(O)C(c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
ACP3 P15309 2/20 0.54
PNMT P11086 1/20 0.50
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
PPARG P37231 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SRD5A2 P31213 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL9584097 0.84 ACP3 (0.49) CES2ACP3PNMTIDO1TDO2
SCHEMBL18952889 0.82 CES2 (0.57) CES2ACP3PNMTIDO1TDO2
SCHEMBL28789627 0.81 HDAC4 (0.49) CES2IDO1TDO2EPHX1KDM4E
SCHEMBL15019153 0.81 CES2 (0.55) CES2ACP3PNMTIDO1TDO2
SCHEMBL29658570 0.81 CES2 (0.69) CES2ACP3PNMTIDO1TDO2
SCHEMBL5159944 0.81 CES2 (0.69) CES2ACP3PNMTIDO1TDO2
SCHEMBL7436009 0.81 CES2 (0.55) CES2ACP3PNMTIDO1TDO2
SCHEMBL5159938 0.81 CES2 (0.69) CES2ACP3PNMTIDO1TDO2
SCHEMBL15019335 0.81 CES2 (0.55) CES2ACP3PNMTIDO1TDO2
SCHEMBL6674012 0.81 CES2 (0.69) CES2ACP3PNMTIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 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 CES2 2063/4885ACP3 3752/4885PNMT 593/4885
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR3E, HTR1F CES2 2063/4885ACP3 3752/4885PNMT 593/4885

“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.