Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3604898

NCCSc1ccc([N+](=O)[O-])c(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CASP6 P55212 2/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM4 Q14833 1/20 0.33
GRK6 P43250 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TTR P02766 1/20 0.33
DTYMK P23919 1/20 0.33

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
SCHEMBL10270731 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL3613088 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL3613094 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL9851477 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTKMT2AMAPK1
SCHEMBL4432761 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL10270729 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL21623756 0.72 MAPT (0.45) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL21623748 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL21623731 0.71 MEN1 (0.51) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL21623768 0.69 MDM2 (0.48) ALDH1A1L3MBTL1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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 (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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO ALDH1A1 2118/4885L3MBTL1 801/4885MAPT 4250/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT ALDH1A1 2072/4885L3MBTL1 1310/4885MAPT 3689/4885

“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.