Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL954974

O=C(O)C(F)(F)F.O=C(OCc1ccccc1)C1CCNC1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTR2C P28335 2/20 0.43
PARP1 P09874 3/20 0.42
PARP2 Q9UGN5 3/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
F2 P00734 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGAV P06756 1/20 0.41
GLA P06280 1/20 0.41
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40

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 SCHEMBL4705776 0.93 TSHR (0.44) TSHRHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL15626865 0.92 TSHR (0.52) TSHRHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL1001991 0.92 TSHR (0.52) TSHRHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL5222777 0.92 TSHR (0.52) TSHRHTR2CNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29098520 0.91 TSHR (0.54) TSHRHTR2CNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1001990 0.91 TSHR (0.54) TSHRHTR2CNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL17873978 0.89 HTR2C (0.50) TSHRHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL5218077 0.84 TSHR (0.50) TSHRHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL5213193 0.84 TSHR (0.50) TSHRHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL611205 0.84 TSHR (0.50) TSHRHTR2CNPC1RAB9ASMN1; SMN2

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 TSHR 1012/4885HTR2C 737/4885PARP1 129/4885

“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.