Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2645867

NC(=O)c1cccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Oc2ccccc2C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.47
CHEK2 O96017 6/20 0.45
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
F2 P00734 1/20 0.43
F3 P13726 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2645528 0.86 GCK (0.60) GCKCHEK2CBFBF2KDM4E
Trifluoroacetic Acid SCHEMBL2646958 0.83 GCK (0.44) GCKRUNX1CBFB
SCHEMBL2646017 0.83 CHEK2 (0.48) GCKCHEK2CBFBF2KDM4E
SCHEMBL2646351 0.82 CHEK2 (0.55) GCKCHEK2CBFBF2KDM4E
SCHEMBL2646594 0.80 GCK (0.54) GCKCHEK2CBFBF2
SCHEMBL2644994 0.79 GCK (0.60) GCKCBFB
SCHEMBL2645190 0.77 GCK (0.49) GCKCBFB
SCHEMBL2644746 0.77 GCK (0.49) GCKCBFBKDM4ENPC1LMNA
SCHEMBL2644417 0.76 GCK (0.55) GCKCBFB
Trifluoroacetic Acid SCHEMBL2645680 0.76 CBFB (0.49) CHEK2RUNX1CBFBF2F3

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 GCK 1/4885CHEK2 2611/4885RUNX1 3484/4885

“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.