Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6421335

CC(C)(C)OC(=O)N(CC(=O)N1CCC(CNc2ccncc2)CC1)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.40
PTPRB P23467 1/20 0.37
PTPN11 Q06124 1/20 0.37
TGFBR1 P36897 2/20 0.37
F2 P00734 2/20 0.37
ACHE P22303 2/20 0.37
PIM1 P11309 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6421010 0.96 GRIN2B (0.53) GRIN2BCYP2D6CYP2C9KDM4EPKM
SCHEMBL5399454 0.86 GRIN2B (0.47) GRIN2BCYP2D6CYP2C9KDM4EPKM
SCHEMBL5392911 0.84 GRIN2B (0.48) GRIN2BCYP2D6CYP2C9KDM4EPKM
SCHEMBL6353754 0.83 ALDH1A1 (0.44) GRIN2BCYP2D6CYP2C9KDM4EPKM
SCHEMBL6215082 0.76 PTPRB (0.43) CYP2D6KDM4EPKMPTPRBPTPN11
SCHEMBL6343306 0.76 SIGLEC9 (0.51) GRIN2BCYP2D6CYP2C9KDM4ECYP3A4
SCHEMBL6148442 0.75 CYP2D6 (0.64) GRIN2BCYP2D6CYP2C9KDM4EPKM
SCHEMBL6346955 0.74 NOS2 (0.54) GRIN2BPTPRBPTPN11MEN1KMT2A
SCHEMBL6421169 0.73 GRIN2B (0.66) GRIN2BCYP2D6CYP2C9KDM4ECYP3A4
SCHEMBL4836692 0.73 POLB (0.49) MEN1LMNAKMT2A

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-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 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-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 GRIN2B 4499/4885CYP2D6 2052/4885CYP2C9 2235/4885

“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.