Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7377780

COCCNC(=O)C1CCN(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 14)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.38
HPGD P15428 3/20 0.37
NAMPT P43490 3/20 0.37
KDM4E B2RXH2 3/20 0.37
BUB1 O43683 1/20 0.37
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 2/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.33

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 SCHEMBL7378333 0.85 GPR6 (0.38) GPR6NAMPTCYP2C9L3MBTL1
Trifluoroacetic Acid SCHEMBL7370016 0.82 GPR6 (0.36) GPR6CYP2C9L3MBTL1
Trifluoroacetic Acid SCHEMBL7376993 0.82 GPR6 (0.36) GPR6CYP2C9L3MBTL1
Trifluoroacetic Acid SCHEMBL7921642 0.82 GPR6 (0.36) GPR6CYP2C9L3MBTL1
Trifluoroacetic Acid SCHEMBL7921647 0.78 DPP4 (0.38) GPR6CYP2C9L3MBTL1
Trifluoroacetic Acid SCHEMBL7370017 0.78 DPP4 (0.38) GPR6CYP2C9L3MBTL1
SCHEMBL7378733 0.75 CYP2D6 (0.35) ALDH1A1CYP2C9L3MBTL1
SCHEMBL7540081 0.75 CYP2D6 (0.35) ALDH1A1CYP2C9L3MBTL1
SCHEMBL7375396 0.68 MAPT (0.33) KDM4ECYP2C9ATML3MBTL1
SCHEMBL7413226 0.68 MAPT (0.33) KDM4ECYP2C9ATML3MBTL1

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 10 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
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP claimed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US claimed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP claimed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO 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 2053/4885HPGD 402/4885NAMPT 859/4885

“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.