Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7214280

COC(=O)[C@H](CCN)NC(=O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
KYNU Q16719 1/20 0.55
CTSK P43235 3/20 0.51
CTSL P07711 3/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
TACR1 P25103 2/20 0.49

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 SCHEMBL7214279 1.00 ALDH1A1 (0.56) ALDH1A1ALOX15KYNUCTSKCTSL
SCHEMBL13887440 0.94 KYNU (0.60) ALDH1A1ALOX15KYNUCTSKCTSL
SCHEMBL22029461 0.94 KYNU (0.60) ALDH1A1ALOX15KYNUCTSKCTSL
Hydrochloric Acid SCHEMBL28284511 0.92 KYNU (0.59) ALDH1A1ALOX15KYNUCTSKCTSL
Hydrochloric Acid SCHEMBL28284490 0.92 KYNU (0.59) ALDH1A1ALOX15KYNUCTSKCTSL
Hydrochloric Acid SCHEMBL28284500 0.92 KYNU (0.59) ALDH1A1ALOX15KYNUCTSKCTSL
Trifluoroacetic Acid SCHEMBL5729191 0.90 ALDH1A1 (0.58) ALDH1A1ALOX15KYNUCTSKCTSL
SCHEMBL2156000 0.86 KYNU (0.58) ALDH1A1ALOX15KYNUCTSKCTSL
SCHEMBL2155610 0.86 KYNU (0.58) ALDH1A1ALOX15KYNUCTSKCTSL
SCHEMBL8447229 0.86 SIRT2 (0.59) ALDH1A1ALOX15KYNUCTSKCTSL

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-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
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-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP 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
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 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 ALDH1A1 1892/4885ALOX15 640/4885KYNU 398/4885

“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.