Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5155558

N#Cc1ccc(CC(N)C(=O)N2CCCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.58
DPP7 Q9UHL4 8/20 0.57
DPP8 Q6V1X1 7/20 0.57
DPP9 Q86TI2 7/20 0.57
FAP Q12884 6/20 0.57
AKT1 P31749 1/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
FPR1 P21462 4/20 0.51
FPR2 P25090 4/20 0.51
GRB2 P62993 1/20 0.45

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 SCHEMBL5151499 1.00 DPP4 (0.58) DPP4DPP7DPP8DPP9FAP
SCHEMBL5230718 0.92 DPP4 (0.66) DPP4DPP7DPP8DPP9FAP
SCHEMBL5229026 0.92 DPP4 (0.66) DPP4DPP7DPP8DPP9FAP
SCHEMBL10615090 0.91 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
SCHEMBL8390334 0.91 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL8647667 0.91 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
SCHEMBL7305245 0.91 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL10615092 0.90 DPP4 (0.63) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL8993841 0.90 DPP4 (0.63) DPP4DPP7DPP8DPP9FAP
Trifluoroacetic Acid SCHEMBL6824509 0.85 HDAC8 (0.58) DPP4DPP7DPP8DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 US disclosed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 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 (2 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D DPP4 1159/4885DPP7 716/4885DPP8 1651/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D DPP4 1159/4885DPP7 716/4885DPP8 1651/4885

“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.