Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2854628

CC(=O)Nc1ccc(N2CCOCC2)c(CN)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
MOK Q9UQ07 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8253702 0.92 ALDH1A1 (0.56) ALDH1A1KDM4EHTTL3MBTL1MOK
SCHEMBL2854634 0.80 MAPT (0.51) ALDH1A1HTTL3MBTL1POLBLMNA
SCHEMBL792380 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHTTL3MBTL1MOK
SCHEMBL423109 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHTTL3MBTL1MOK
SCHEMBL20922083 0.76 HTT (0.66) ALDH1A1KDM4EHTTL3MBTL1POLB
SCHEMBL17478627 0.75 KDM4E (0.67) ALDH1A1KDM4EHTTGAARAB9A
SCHEMBL29769098 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EHTTL3MBTL1MOK
SCHEMBL2010279 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EHTTL3MBTL1MOK
SCHEMBL29769157 0.75 RAB9A (0.70) ALDH1A1KDM4EHTTL3MBTL1POLB
SCHEMBL8961536 0.72 ALDH1A1 (0.57) ALDH1A1KDM4EHTTL3MBTL1MOK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ALDH1A1 2963/4885KDM4E 1847/4885HTT 3772/4885

“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.