Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1013575

COC(=O)[C@H]1CNCCN1c1ccc(Cl)cc1.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
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
PRSS3 P35030 1/20 0.41
MC4R P32245 4/20 0.40
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL653537 0.92 MC4R (0.41) MC4RCNR2CNR1CYP2C8CYP2C9
SCHEMBL1012668 0.92 MC4R (0.41) MC4RCNR2CNR1CYP2C8CYP2C9
Trifluoroacetic Acid SCHEMBL1013828 0.82 F2 (0.42) F2F9F10F12PRSS1
Trifluoroacetic Acid SCHEMBL4662866 0.82 F2 (0.42) F2F9F10F12PRSS1
SCHEMBL16731889 0.81 SLC6A4 (0.47) CYP2C19TSHRALDH1A1KMT2A
SCHEMBL21360310 0.81 SLC6A4 (0.47) CYP2C19TSHRALDH1A1KMT2A
SCHEMBL27613840 0.79 HTR3E (0.45) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL3320576 0.77 MMP1 (0.38) KMT2A
SCHEMBL38661140 0.77 ADRB2 (0.41) CYP2C9CYP2C19ALDH1A1
SCHEMBL3058168 0.76 HTR2C (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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 (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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 F2 1674/4885F9 3618/4885F10 2892/4885

“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.