Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2916534

COC(=O)c1ccc(S(=O)(=O)C(C)C)c([C@H]2NCC[C@@H]2C(=O)OC)c1.O=C(O)C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
VCAM1 P19320 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PAX8 Q06710 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31

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 SCHEMBL2916531 1.00 NOTUM (0.33) NOTUMKDM4EALDH1A1GAAPKM
Trifluoroacetic Acid SCHEMBL2917446 0.94 NOTUM (0.34) NOTUMKDM4EALDH1A1GAAPKM
Hydrochloric Acid SCHEMBL2525623 0.92 KMT2A (0.35) KDM4EALDH1A1GAAPKMHPGD
SCHEMBL2917449 0.90 CNR2 (0.32) NOTUMKDM4EALDH1A1GAAPKM
Hydrochloric Acid SCHEMBL2911327 0.86 KDM4E (0.36) KDM4EALDH1A1GAAPKMHPGD
Trifluoroacetic Acid SCHEMBL2914335 0.85 F7 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL3826648 0.84 KDM4E (0.37) KDM4EALDH1A1PKMHPGDMEN1
SCHEMBL13613432 0.80 SLC6A3 (0.35) KDM4ELMNAMAPTF10
Hydrochloric Acid SCHEMBL2912239 0.79 SLC6A3 (0.35) KDM4ELMNAMAPT
SCHEMBL13613444 0.78 CDK1 (0.40) ALDH1A1

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 NOTUM 635/4885KDM4E 999/4885ALDH1A1 3804/4885

“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.