Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18693104

NNC1CCC(F)(F)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
KDM1A O60341 3/20 0.33
DGAT1 O75907 1/20 0.33
WHR1 P49842 2/20 0.32
IDH1 O75874 2/20 0.31
IDH2 P48735 2/20 0.31
MAOB P27338 1/20 0.31
CCR2 P41597 1/20 0.31

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 SCHEMBL22505630 0.84 PKM (0.38) EPHX2DGAT1
SCHEMBL1717640 0.82 EPHX2 (0.36) EPHX2KDM1AIDH1IDH2
Trifluoroacetic Acid SCHEMBL29221249 0.81 EPHX2 (0.41) EPHX2KDM1AWHR1IDH1IDH2
Trifluoroacetic Acid SCHEMBL16050159 0.80 PDK1 (0.39) EPHX2
Trifluoroacetic Acid SCHEMBL4114059 0.80 PDK1 (0.39) EPHX2
Hypochlorous Acid SCHEMBL28596409 0.80 EPHX2 (0.37) EPHX2KDM1AIDH1IDH2MAOB
Hydrochloric Acid SCHEMBL15550997 0.80 EPHX2 (0.35) EPHX2KDM1AIDH1IDH2
Hydrochloric Acid SCHEMBL29093704 0.80 EPHX2 (0.35) EPHX2KDM1AIDH1IDH2
Trifluoroacetic Acid SCHEMBL3862637 0.79 PDK1 (0.42) EPHX2
Hydrochloric Acid SCHEMBL22042887 0.78 EPHX2 (0.34) EPHX2IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use ABBVIE SARL (LU) 2019-10-31 US disclosed
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use AbbVie S.à.r.l. (LU) 2019-04-16 US disclosed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 US disclosed
US-9890158-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2018-02-13 US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 US disclosed
US-20170101405-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L. (LU) 2017-04-13 US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 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 (6 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-20170101405-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 EPHX2 3605/4885KDM1A 4484/4885DGAT1 4639/4885
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 EPHX2 2986/4885KDM1A 4588/4885DGAT1 4590/4885
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use CFTR, CHRM3, P2RY1 EPHX2 4009/4885KDM1A 4351/4885DGAT1 4601/4885
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, CHRM3, P2RY1 EPHX2 4009/4885KDM1A 4351/4885DGAT1 4601/4885
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 EPHX2 3605/4885KDM1A 4484/4885DGAT1 4639/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 EPHX2 3605/4885KDM1A 4484/4885DGAT1 4639/4885

“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.