Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3170055

O=C(CNc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 7/20 0.57
▸ NPY5R Q15761 1/20 0.55
▸ MGLL Q99685 2/20 0.55
▸ MAPT P10636 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ RAB9A P51151 3/20 0.53
▸ GAA P10253 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MMP2 P08253 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50

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 SCHEMBL3173772 0.96 LMNA (0.57) LMNAKMT2AMEN1MGLLMAPT
SCHEMBL8452345 0.94 LMNA (0.70) LMNAKMT2AMEN1NPY5RMGLL
SCHEMBL8446308 0.89 KMT2A (0.62) LMNAKMT2AMEN1MGLLMAPT
Trifluoroacetic Acid SCHEMBL3174446 0.85 LMNA (0.57) LMNAKMT2AMEN1NPY5RMAPT
Trifluoroacetic Acid SCHEMBL3169649 0.85 KMT2A (0.53) LMNAKMT2AMEN1MAPTMAPK1
Trifluoroacetic Acid SCHEMBL3173310 0.84 ALDH1A1 (0.57) LMNAKMT2AMEN1NPY5RMAPT
Trifluoroacetic Acid SCHEMBL3177298 0.82 LMNA (0.52) LMNAKMT2AMEN1NPY5RMAPT
Trifluoroacetic Acid SCHEMBL3164230 0.81 KMT2A (0.49) LMNAKMT2AMEN1NPY5RMAPT
Trifluoroacetic Acid SCHEMBL3179280 0.78 MMP2 (0.47) LMNAKMT2AMEN1NPY5RMAPT
Trifluoroacetic Acid SCHEMBL3171698 0.78 MMP2 (0.47) LMNAKMT2AMEN1MAPTMAPK1

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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 — — EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 — — EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 LMNA 2141/4885KMT2A 1573/4885MEN1 3768/4885

“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.

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