Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4732302

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

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.36
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP7 Q9UHL4 3/20 0.35
DPP9 Q86TI2 2/20 0.35
SLC2A1 P11166 2/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
PARP1 P09874 2/20 0.33
MTOR P42345 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 SCHEMBL4732297 0.89 POLB (0.36) DPP4DPP8DPP7DPP9MTOR
Trifluoroacetic Acid SCHEMBL4731166 0.88 ADORA2A (0.35) HTR5ASLC2A1
Trifluoroacetic Acid SCHEMBL4733620 0.88 MAPT (0.37) HTR5ADPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL4728849 0.86 MEN1 (0.42) HTR5ASLC2A1PARP1GPR6HDAC1
Trifluoroacetic Acid SCHEMBL4730294 0.85 MCHR1 (0.39) DPP4DPP8DPP7DPP9HTR2C
Trifluoroacetic Acid SCHEMBL4731677 0.85 PARP1 (0.36) HTR5ADPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL4734148 0.85 FFAR1 (0.35) PARP1
Trifluoroacetic Acid SCHEMBL4731470 0.84 TRPA1 (0.42) DPP4DPP8DPP7HDAC1TRPA1
Trifluoroacetic Acid SCHEMBL4734028 0.83 KIF11 (0.42) DPP4DPP8DPP7DPP9PARP1
Trifluoroacetic Acid SCHEMBL4735931 0.83 HDAC1 (0.37) HTR5ADPP4DPP8DPP7DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 HTR5A 3513/4885DPP4 4523/4885DPP8 3998/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO HTR5A 3513/4885DPP4 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 HTR5A 899/4885DPP4 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.