Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2494096

CN(C)C(=O)[C@@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.33
CTSC P53634 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL15286953 0.90 GLI1 (0.38) GLI1CTSCGRM2GRM3CYP1A2
Trifluoroacetic Acid SCHEMBL17924705 0.82 CYP1A2 (0.46) CTSCGRM2GRM3CYP1A2ALOX15
Trifluoroacetic Acid SCHEMBL15129828 0.79 GRM2 (0.36) CTSCGRM2GRM3CYP1A2ALOX15
Trifluoroacetic Acid SCHEMBL952708 0.78 BACE1 (0.39) CTSCGRM2GRM3CYP1A2ALOX15
Chloromethane SCHEMBL22092026 0.74 CYP1A2 (0.48) CTSCGRM2GRM3CYP1A2ALOX15
SCHEMBL2741826 0.74
Hydrochloric Acid SCHEMBL223810 0.73
Trifluoroacetic Acid SCHEMBL21635550 0.72 APLNR (0.32)
SCHEMBL3145095 0.72 CYP1A2 (0.53) CTSCGRM2GRM3CYP1A2ALOX15
SCHEMBL40623 0.72 CYP1A2 (0.53) CTSCGRM2GRM3CYP1A2ALOX15

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
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP 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 (2 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-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A GLI1 1252/4885CTSC 1896/4885GRM2 877/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 GLI1 561/4885CTSC 1030/4885GRM2 1329/4885

“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.