Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL953682

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
OPRD1 P41143 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 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
Trifluoroacetic Acid SCHEMBL951625 0.91 LMNA (0.52) PKMSMN1; SMN2POLBLMNATSHR
SCHEMBL952311 0.89 POLB (0.49) SMN1; SMN2POLBLMNATSHRALDH1A1
N-(Ethoxycarbonyl)Piperazine SCHEMBL23824721 0.85 TSHR (0.49) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL22407731 0.83 SMN1; SMN2 (0.44) SMN1; SMN2POLBLMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL22407717 0.81 SMN1; SMN2 (0.43) SMN1; SMN2POLBLMNATSHRALDH1A1
Trifluoroacetic Acid SCHEMBL23778373 0.80 TSHR (0.44) PKMSMN1; SMN2POLBTSHRALDH1A1
SCHEMBL23094386 0.80 POLB (0.44) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL17017 0.79 POLB (0.63) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL18760256 0.79 POLB (0.63) SMN1; SMN2POLBLMNATSHRALDH1A1
SCHEMBL5820669 0.79 POLB (0.63) SMN1; SMN2POLBLMNATSHRALDH1A1

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 PKM 678/4885SMN1; SMN2 4214/4885POLB 2236/4885

“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.