Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3597812

NCCc1cc(N)nc(N)c1[N+](=O)[O-].O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGMT P16455 4/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
PRKACA P17612 1/20 0.33
CASP6 P55212 1/20 0.33
MAPT P10636 5/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
POLB P06746 3/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3606360 0.93 HRH4 (0.40) MGMTHRH4HRH3KMT2AMEN1
SCHEMBL2932889 0.88 MGMT (0.37) MGMTKMT2AMEN1PSMD14PRKACA
Hydrochloric Acid SCHEMBL2926719 0.86 MGMT (0.36) MGMTKMT2AMEN1PSMD14PRKACA
Hydrochloric Acid SCHEMBL2935264 0.78 MGMT (0.35) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL9406471 0.68 BACE1 (0.40) MGMTKMT2AMEN1PSMD14PRKACA
Formic Acid SCHEMBL3606800 0.68 LMNA (0.36) MGMTKMT2AMEN1MAPTALDH1A1
SCHEMBL29581128 0.65 MAPT (0.42) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL11665903 0.65 MAPT (0.42) MGMTKMT2AMEN1PSMD14PRKACA
Trifluoroacetic Acid SCHEMBL3604898 0.65 ALDH1A1 (0.46) KMT2AMEN1PSMD14PRKACACASP6
SCHEMBL30578394 0.64 KMT2A (0.43) MGMTKMT2AMEN1PSMD14PRKACA

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 MGMT 922/4885HRH4 308/4885HRH3 960/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT MGMT 1344/4885HRH4 428/4885HRH3 867/4885

“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.