Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7378333

COCCNC1CCN(CCNc2ccncc2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
SLC2A1 P11166 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
APAF1 O14727 1/20 0.32
MITF O75030 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32

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 SCHEMBL7377780 0.85 GPR6 (0.38) GPR6CYP2C9L3MBTL1NAMPT
Trifluoroacetic Acid SCHEMBL7370017 0.79 DPP4 (0.38) GPR6CYP2D6CYP2C9GRIN2BSLC2A1
Trifluoroacetic Acid SCHEMBL7921647 0.79 DPP4 (0.38) GPR6CYP2D6CYP2C9GRIN2BSLC2A1
Trifluoroacetic Acid SCHEMBL7376993 0.78 GPR6 (0.36) GPR6CYP2D6CYP2C9GRIN2BSLC2A1
Trifluoroacetic Acid SCHEMBL7921642 0.78 GPR6 (0.36) GPR6CYP2D6CYP2C9GRIN2BSLC2A1
Trifluoroacetic Acid SCHEMBL7370016 0.78 GPR6 (0.36) GPR6CYP2D6CYP2C9GRIN2BSLC2A1
Trifluoroacetic Acid SCHEMBL7378726 0.73 F10 (0.37) GPR6CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL7542634 0.73 F10 (0.37) GPR6CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL7536957 0.70 F10 (0.58)
SCHEMBL7378733 0.70 CYP2D6 (0.35) CYP2D6CYP2C9GRIN2BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US claimed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US claimed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 GPR6 2053/4885HDAC1 368/4885HDAC8 1052/4885

“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.