Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL841644

COCCOc1ccc(C(C)N)cc1C(F)(F)F.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
HTT P42858 3/20 0.43
S1PR1 P21453 4/20 0.42
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
S1PR4 O95977 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL860439 0.91 AR (0.40) HTTS1PR1KDM4EKMT2AHPGD
Trifluoroacetic Acid SCHEMBL14631859 0.82 DPP4 (0.40) S1PR1AKR1C3AKR1C2
SCHEMBL12986570 0.81 CASR (0.43) HTTS1PR1KDM4EKMT2AHPGD
Trifluoroacetic Acid SCHEMBL840233 0.79 GPBAR1 (0.36) AKR1C3AKR1C2
SCHEMBL842139 0.77 S1PR1 (0.43) S1PR1KMT2ARXRARXRBRXRG
SCHEMBL2585313 0.76 HTT (0.54) HTTKDM4EKMT2AHPGDALDH1A1
SCHEMBL2692879 0.75 XDH (0.38) S1PR1AKR1C3AKR1C2XDH
SCHEMBL840210 0.73 KDM4E (0.54) HTTS1PR1KDM4EKMT2AHPGD
SCHEMBL2793455 0.72 GAA (0.46) HTTS1PR1KDM4EKMT2AHPGD
SCHEMBL25313061 0.72 KDM4E (0.56) HTTS1PR1KDM4EKMT2AHPGD

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
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI HTT 4477/4885S1PR1 1600/4885KDM4E 260/4885

“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.