Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL953317

O=C(O)C(F)(F)F.O=C(Oc1ccccc1)N1CCNCC1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CYP3A4 P08684 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
TSHR P16473 4/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MGLL Q99685 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 3/20 0.48
CYP2D6 P10635 2/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL2583030 0.91 GAA (0.61) GAACYP3A4SMN1; SMN2ALDH1A1MAPK1
SCHEMBL13004298 0.80 ALOX15 (0.58) GAACYP3A4SMN1; SMN2ALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL27706408 0.79 MEN1 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL31505483 0.79 MEN1 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AKMT2A
SCHEMBL11882343 0.79 MGLL (0.72) GAACYP3A4SMN1; SMN2ALDH1A1MAPK1
SCHEMBL27627256 0.78 ALOX15 (0.56) SMN1; SMN2ALDH1A1ALOX15CYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL27832857 0.77 SIGMAR1 (0.81) ALDH1A1USP2SIGMAR1
Trifluoroacetic Acid SCHEMBL31505451 0.77 MEN1 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AKMT2A
SCHEMBL30595861 0.77 USP2 (0.49) CYP3A4SMN1; SMN2ALDH1A1TSHRALOX15
SCHEMBL30595877 0.77 USP2 (0.49) CYP3A4SMN1; SMN2ALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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 (1 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 GAA 1779/4885CYP3A4 2476/4885SMN1; SMN2 4214/4885

“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.