Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4731365

CNC1CCC(C(=O)NCc2cc(-c3cccc(C#N)c3)ccc2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
MCHR1 Q99705 8/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC2A1 P11166 1/20 0.38
EPHX2 P34913 2/20 0.38
PTPN5 P54829 1/20 0.38
GPR6 P46095 1/20 0.38
MTOR P42345 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
AR P10275 1/20 0.37
GSK3B P49841 1/20 0.37

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 SCHEMBL4733331 0.93 EPHX2 (0.41) F11KLKB1MCHR1EPHX2GPR6
Trifluoroacetic Acid SCHEMBL4731371 0.90 MCHR1 (0.41) MCHR1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL4728845 0.90 EPHX2 (0.43) EPHX2MTORCHRM1CHRM3
Trifluoroacetic Acid SCHEMBL4731670 0.85 POLB (0.39) EPHX2MTOR
Trifluoroacetic Acid SCHEMBL4730291 0.85 POLB (0.43) MCHR1EPHX2MTOR
Trifluoroacetic Acid SCHEMBL4731462 0.84 TRPA1 (0.47) MCHR1EPHX2MTOR
Trifluoroacetic Acid SCHEMBL4734025 0.83 KIF11 (0.39) EPHX2MTOR
Trifluoroacetic Acid SCHEMBL4735926 0.83 POLB (0.38) EPHX2MTOR
Trifluoroacetic Acid SCHEMBL4734143 0.83 POLB (0.37) EPHX2MTORAR
Trifluoroacetic Acid SCHEMBL4735933 0.83 EPHX2 (0.47) EPHX2

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 6 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

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 F11 4834/4885KLKB1 4783/4885MCHR1 1785/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO F11 4834/4885KLKB1 4783/4885MCHR1 1785/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO F11 4834/4885KLKB1 4783/4885MCHR1 1785/4885
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 F11 4694/4885KLKB1 4480/4885MCHR1 273/4885

“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.