Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4735933

CNC1CCC(C(=O)NCc2cc(-c3ccc(OC)cc3)ccc2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.47
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KMT2A Q03164 1/20 0.40

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 SCHEMBL4728845 0.90 EPHX2 (0.43) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4731670 0.89 POLB (0.39) EPHX2MAPTKMT2A
Trifluoroacetic Acid SCHEMBL4730291 0.89 POLB (0.43) EPHX2MAPTKMT2A
Trifluoroacetic Acid SCHEMBL4731462 0.89 TRPA1 (0.47) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4735936 0.88 CNR1 (0.41) EPHX2ALDH1A1
Trifluoroacetic Acid SCHEMBL4735926 0.88 POLB (0.38) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4734025 0.88 KIF11 (0.39) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4734014 0.86 NAMPT (0.44) EPHX2ALDH1A1SMN1; SMN2MAPTKMT2A
Trifluoroacetic Acid SCHEMBL4733331 0.86 EPHX2 (0.41) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4734143 0.85 POLB (0.37) EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO 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 (4 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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO EPHX2 2028/4885ALDH1A1 1638/4885SMN1; SMN2 3725/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO EPHX2 2028/4885ALDH1A1 1638/4885SMN1; SMN2 3725/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO EPHX2 2028/4885ALDH1A1 1638/4885SMN1; SMN2 3725/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO EPHX2 1604/4885ALDH1A1 2463/4885SMN1; SMN2 2898/4885

“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.