Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4731371

CNC1CCC(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 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SLC2A1 P11166 1/20 0.40
PTPN5 P54829 1/20 0.40
GPR6 P46095 2/20 0.39
PTGER2 P43116 1/20 0.38
CCR6 P51684 1/20 0.38

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 SCHEMBL4733338 0.91 GPR6 (0.40) MCHR1GPR6
Trifluoroacetic Acid SCHEMBL4731365 0.90 F11 (0.41) MCHR1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL4728849 0.88 MEN1 (0.42) SLC2A1GPR6PTGER2
Trifluoroacetic Acid SCHEMBL4730294 0.83 MCHR1 (0.39) MCHR1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL4731677 0.83 PARP1 (0.36) DPP4DPP8DPP9DPP7SLC2A1
Trifluoroacetic Acid SCHEMBL4733331 0.82 EPHX2 (0.41) MCHR1GPR6
Trifluoroacetic Acid SCHEMBL4731470 0.82 TRPA1 (0.42) MCHR1DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL4735931 0.81 HDAC1 (0.37) MCHR1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL4734028 0.81 KIF11 (0.42) MCHR1DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL4734148 0.81 FFAR1 (0.35) MCHR1

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 MCHR1 1785/4885DPP4 4523/4885DPP8 3998/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO MCHR1 1785/4885DPP4 4523/4885DPP8 3998/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MCHR1 1785/4885DPP4 4523/4885DPP8 3998/4885
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 MCHR1 273/4885DPP4 1571/4885DPP8 2320/4885

“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.