Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL784209

CC(=O)NC(CN)c1ncc(C(F)(F)F)cc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
KMT2A Q03164 5/20 0.51
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL16927681 0.83 MAPK1 (0.53) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL784210 0.79 MAPK1 (0.52) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL784096 0.77 MAPK1 (0.52) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL28409115 0.76 MAPK1 (0.56) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL783927 0.74 MAPK1 (0.56) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL4552882 0.73 MAPK1 (0.45) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL3774595 0.73 MAPK1 (0.69) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL784569 0.72 MAPK1 (0.52) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL784477 0.71 MAPK1 (0.43) MAPK1KMT2AGAASMN1; SMN2LMNA
SCHEMBL2888813 0.71 MAPK1 (0.87) MAPK1KMT2AGAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694648-B1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER SAS (FR) 2015-07-29 EP disclosed
EP-1694649-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-01-22 EP disclosed
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2012-03-22 US disclosed
US-8071627-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2011-12-06 US disclosed
CN-1898210-B 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA 2011-03-30 CN disclosed
US-7560567-B2 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE S.A. (FR) 2009-07-14 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
CN-100471839-C 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE SA (FR) 2009-03-25 CN disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 US disclosed
CN-1898210-A 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2007-01-17 CN disclosed
CN-1898207-A 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE SA (FR) 2007-01-17 CN disclosed
EP-1548007-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-06-29 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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS MAPK1 4147/4885KMT2A 1855/4885GAA 83/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS MAPK1 3144/4885KMT2A 937/4885GAA 114/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 MAPK1 3109/4885KMT2A 817/4885GAA 230/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 MAPK1 3077/4885KMT2A 1093/4885GAA 51/4885

“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.