Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2914351

CC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2NCCC2C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.37
F3 P13726 4/20 0.37
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HSPA1A P0DMV8 1/20 0.33
NR4A1 P22736 1/20 0.33
PTPN7 P35236 1/20 0.33
CDK1 P06493 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
RORC P51449 1/20 0.32
CYP2C19 P33261 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 SCHEMBL2914335 0.92 F7 (0.36) F7F3DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL2914337 0.92 F7 (0.36) F7F3DPP4DPP8DPP7
SCHEMBL2914356 0.86 F7 (0.34) F7F3ALDH1A1CHRNB2CHRNA4
SCHEMBL13613477 0.84 CDK1 (0.40) F7F3ALDH1A1CHRNB2CHRNA4
SCHEMBL13613443 0.84 CDK1 (0.40) F7F3ALDH1A1CHRNB2CHRNA4
SCHEMBL13613444 0.84 CDK1 (0.40) F7F3ALDH1A1CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL2917446 0.83 NOTUM (0.34) KDM4EHTTALDH1A1L3MBTL1CYP2C19
Trifluoroacetic Acid SCHEMBL2916534 0.77 NOTUM (0.33) KDM4EHTTALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL2916531 0.77 NOTUM (0.33) KDM4EHTTALDH1A1L3MBTL1
SCHEMBL11348081 0.77 F7 (0.43) F7F3

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
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 F7 35/4885F3 20/4885DPP4 154/4885

“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.