Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3606360

NCCCc1cc(N)nc(N)c1[N+](=O)[O-].O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
MGMT P16455 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
PRKACA P17612 1/20 0.32
CASP6 P55212 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31

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 SCHEMBL3597812 0.93 MGMT (0.34) HRH4HRH3MGMTKMT2AMEN1
Hydrochloric Acid SCHEMBL2935264 0.87 MGMT (0.35) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL2932889 0.80 MGMT (0.37) MGMTKMT2AMEN1PSMD14PRKACA
Hydrochloric Acid SCHEMBL2926719 0.79 MGMT (0.36) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL9406471 0.67 BACE1 (0.40) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL29581128 0.64 MAPT (0.42) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL11665903 0.64 MAPT (0.42) MGMTKMT2AMEN1PSMD14PRKACA
Trifluoroacetic Acid SCHEMBL3604898 0.63 ALDH1A1 (0.46) KMT2AMEN1PSMD14PRKACACASP6
SCHEMBL30578394 0.62 KMT2A (0.43) MGMTKMT2AMEN1PSMD14PRKACA
SCHEMBL28231619 0.62 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 HRH4 308/4885HRH3 960/4885MGMT 922/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT HRH4 428/4885HRH3 867/4885MGMT 1344/4885

“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.