Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2645680

NC(=O)c1ccccc1Oc1cc(Oc2cccnc2)cc2[nH]c(-c3ccccn3)nc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.41
PARP1 P09874 2/20 0.41
DHODH Q02127 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
CHEK2 O96017 2/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RUNX1 Q01196 2/20 0.38
F2 P00734 1/20 0.36
F3 P13726 1/20 0.36
CTNNB1 P35222 1/20 0.35

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 SCHEMBL2644523 0.91 CBFB (0.50) CBFBSMN1; SMN2DHODHPKN1PKN2
SCHEMBL2646642 0.86 CBFB (0.48) CBFBSMN1; SMN2DHODHCHEK2ALDH1A1
SCHEMBL2644776 0.82 CBFB (0.57) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2645553 0.82 CBFB (0.55) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2644351 0.81 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2646017 0.80 CHEK2 (0.48) CBFBSMN1; SMN2CHEK2F2
SCHEMBL2645922 0.79 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2646115 0.79 CBFB (0.47) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2646267 0.78 GCK (0.42) CBFBSMN1; SMN2PARP1DHODHPARP2
SCHEMBL2644647 0.78 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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 (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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 CBFB 1550/4885SMN1; SMN2 832/4885PARP1 2024/4885

“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.