Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4735926

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
EPHX2 P34913 8/20 0.38
MTOR P42345 2/20 0.38
HDAC1 Q13547 1/20 0.38
TRPA1 O75762 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CYP2C9 P11712 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RAB9A P51151 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
Hydrochloric Acid SCHEMBL4735481 0.96 POLB (0.39) POLBEPHX2MTORHDAC1TRPA1
Trifluoroacetic Acid SCHEMBL4734025 0.92 KIF11 (0.39) POLBEPHX2MTORHDAC1TRPA1
Trifluoroacetic Acid SCHEMBL4728845 0.91 EPHX2 (0.43) POLBEPHX2MTORHDAC1TRPA1
Trifluoroacetic Acid SCHEMBL4730291 0.90 POLB (0.43) POLBEPHX2MTORTRPA1KMT2A
Trifluoroacetic Acid SCHEMBL4731670 0.90 POLB (0.39) POLBEPHX2MTORTRPA1KMT2A
Trifluoroacetic Acid SCHEMBL4731462 0.89 TRPA1 (0.47) POLBEPHX2MTORTRPA1KMT2A
Trifluoroacetic Acid SCHEMBL4735931 0.88 HDAC1 (0.37) MTORHDAC1
Trifluoroacetic Acid SCHEMBL4732768 0.88 QRFPR (0.44) EPHX2KDM4EPKMRAB9A
Trifluoroacetic Acid SCHEMBL4735933 0.88 EPHX2 (0.47) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL4734014 0.87 NAMPT (0.44) POLBEPHX2MTORTRPA1KMT2A

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 POLB 2970/4885EPHX2 2028/4885MTOR 356/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO POLB 2970/4885EPHX2 2028/4885MTOR 356/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO POLB 2970/4885EPHX2 2028/4885MTOR 356/4885
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 POLB 2138/4885EPHX2 1604/4885MTOR 489/4885

“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.