Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4728845

CNC1CCC(C(=O)NCc2cc(-c3ccccc3)ccc2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
HDAC1 Q13547 1/20 0.41
CYP2C9 P11712 3/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MTOR P42345 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 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 SCHEMBL4730291 0.93 POLB (0.43) EPHX2KDM4EPKMPOLBLMNA
Trifluoroacetic Acid SCHEMBL4731670 0.93 POLB (0.39) EPHX2KDM4EPKMCYP2C9POLB
Trifluoroacetic Acid SCHEMBL4731462 0.92 TRPA1 (0.47) EPHX2KDM4EPOLBMTORTRPA1
Trifluoroacetic Acid SCHEMBL4735926 0.91 POLB (0.38) EPHX2KDM4EPKMHDAC1CYP2C9
Trifluoroacetic Acid SCHEMBL4734025 0.91 KIF11 (0.39) EPHX2KDM4EPKMHDAC1CYP2C9
Trifluoroacetic Acid SCHEMBL4735933 0.90 EPHX2 (0.47) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4731365 0.90 F11 (0.41) EPHX2CHRM1CHRM3MTOR
Trifluoroacetic Acid SCHEMBL4734014 0.89 NAMPT (0.44) EPHX2KDM4EPOLBLMNAMTOR
Trifluoroacetic Acid SCHEMBL4733331 0.89 EPHX2 (0.41) EPHX2KDM4EPOLBMTORTRPA1
Trifluoroacetic Acid SCHEMBL4734143 0.89 POLB (0.37) EPHX2KDM4EPKMCYP2C9POLB

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 2028/4885KDM4E 274/4885PKM 2974/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO EPHX2 2028/4885KDM4E 274/4885PKM 2974/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO EPHX2 2028/4885KDM4E 274/4885PKM 2974/4885
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 1604/4885KDM4E 52/4885PKM 4460/4885

“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.