Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3602860

NCCSc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.38
DPP7 Q9UHL4 6/20 0.38
KCNH2 Q12809 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ALPL P05186 2/20 0.33
DHODH Q02127 1/20 0.33
KMO O15229 1/20 0.33
CFTR P13569 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10269997 0.90 DPP4 (0.44) DPP4EGLN2SMN1; SMN2
SCHEMBL3617050 0.83 LMNA (0.39) DPP4EGLN2CNR1ALPLDHODH
Trifluoroacetic Acid SCHEMBL3605360 0.82 DPP4 (0.38) DPP4DPP7KCNH2EGLN2ALPL
SCHEMBL3602861 0.81 DPP4 (0.34) DPP4DPP7KCNH2EGLN2CNR1
SCHEMBL4553917 0.81 DPP4 (0.34) DPP4EGLN2CNR1CNR2ALPL
Trifluoroacetic Acid SCHEMBL3607999 0.80 DPP4 (0.41) DPP4DPP7KCNH2EGLN2ALPL
SCHEMBL3604561 0.79 EGLN2 (0.44) DPP4EGLN2SMN1; SMN2
SCHEMBL10269998 0.78 IDO1 (0.46) CNR1CNR2ALPLTP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3607995 0.77 DPP4 (0.45) DPP4DPP7KCNH2EGLN2ALPL
SCHEMBL3605363 0.72 DPP4 (0.35) DPP4DPP7EGLN2CNR1CNR2

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 DPP4 436/4885DPP7 1082/4885KCNH2 3066/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT DPP4 497/4885DPP7 1030/4885KCNH2 2762/4885

“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.