Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3169649

O=C(CNc1nc(-c2ccc(F)cc2)cs1)Nc1nccs1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ PRKACA P17612 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ WNT3A P56704 1/20 0.48
▸ CDC25A P30304 1/20 0.47

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
SCHEMBL8446321 0.94 KMT2A (0.59) KMT2AMAPK1LMNAPRKACAROCK1
Trifluoroacetic Acid SCHEMBL3173772 0.86 LMNA (0.57) KMT2AMAPK1LMNAPRKACAROCK1
Trifluoroacetic Acid SCHEMBL3170055 0.85 LMNA (0.64) KMT2AMAPK1LMNAROCK1MEN1
Trifluoroacetic Acid SCHEMBL3179670 0.84 NPC1 (0.48) KMT2AMEN1ALDH1A1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL3174446 0.83 LMNA (0.57) KMT2AMAPK1LMNAPRKACAROCK1
Trifluoroacetic Acid SCHEMBL3173310 0.81 ALDH1A1 (0.57) KMT2AMAPK1LMNAPRKACAROCK1
Trifluoroacetic Acid SCHEMBL3177298 0.80 LMNA (0.52) KMT2AMAPK1LMNAPRKACAROCK1
SCHEMBL8446308 0.79 KMT2A (0.62) KMT2AMAPK1LMNAPRKACAROCK1
SCHEMBL8452345 0.79 LMNA (0.70) KMT2AMAPK1LMNAROCK1MEN1
Trifluoroacetic Acid SCHEMBL3164230 0.78 KMT2A (0.49) KMT2AMAPK1LMNAPRKACAROCK1

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 KMT2A 1573/4885MAPK1 2512/4885LMNA 2141/4885

“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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