Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4734014

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
MAPT P10636 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.37
MTOR P42345 1/20 0.37
EPHX2 P34913 1/20 0.37
TRPA1 O75762 1/20 0.37
NQO2 P16083 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PTPN1 P18031 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35

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 0.89 EPHX2 (0.43) KMT2APOLBMTOREPHX2TRPA1
Trifluoroacetic Acid SCHEMBL4734025 0.89 KIF11 (0.39) KMT2APOLBMTOREPHX2TRPA1
Trifluoroacetic Acid SCHEMBL4734021 0.89 HTT (0.38) NAMPTMAPTKMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4731670 0.89 POLB (0.39) MAPTKMT2APOLBMTOREPHX2
Trifluoroacetic Acid SCHEMBL4730291 0.89 POLB (0.43) MAPTKMT2APOLBMTOREPHX2
Trifluoroacetic Acid SCHEMBL4734143 0.88 POLB (0.37) KMT2APOLBMTOREPHX2TRPA1
Trifluoroacetic Acid SCHEMBL4731462 0.88 TRPA1 (0.47) KMT2AMEN1POLBMTOREPHX2
Trifluoroacetic Acid SCHEMBL4735926 0.87 POLB (0.38) KMT2APOLBMTOREPHX2TRPA1
Trifluoroacetic Acid SCHEMBL4735933 0.86 EPHX2 (0.47) MAPTKMT2ASMN1; SMN2EPHX2ALDH1A1
Trifluoroacetic Acid SCHEMBL4733614 0.85 FASN (0.38) MAPTKMT2APOLBMTOREPHX2

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-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-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO 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 NAMPT 4101/4885MAPT 4623/4885KMT2A 692/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO NAMPT 4101/4885MAPT 4623/4885KMT2A 692/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO NAMPT 4101/4885MAPT 4623/4885KMT2A 692/4885
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 NAMPT 3367/4885MAPT 398/4885KMT2A 858/4885

“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.