Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4730291

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
F2 P00734 3/20 0.40
F10 P00742 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
KMT2A Q03164 2/20 0.40
F12 P00748 2/20 0.39
F7 P08709 2/20 0.39
EPHX2 P34913 2/20 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
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCHR1 Q99705 1/20 0.37

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 0.93 EPHX2 (0.43) POLBLMNAKMT2AEPHX2HTR2C
Trifluoroacetic Acid SCHEMBL4731670 0.92 POLB (0.39) POLBLMNAKMT2AEPHX2MTOR
Trifluoroacetic Acid SCHEMBL4731462 0.91 TRPA1 (0.47) POLBKMT2AEPHX2MTORTRPA1
Trifluoroacetic Acid SCHEMBL4734025 0.90 KIF11 (0.39) POLBKMT2AEPHX2HTR2CHTR2B
Trifluoroacetic Acid SCHEMBL4735926 0.90 POLB (0.38) POLBF2F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL4735933 0.89 EPHX2 (0.47) KMT2AEPHX2MAPT
Trifluoroacetic Acid SCHEMBL4733331 0.89 EPHX2 (0.41) POLBKMT2AEPHX2MTORTRPA1
Trifluoroacetic Acid SCHEMBL4734014 0.89 NAMPT (0.44) POLBLMNAKMT2AEPHX2MTOR
Trifluoroacetic Acid SCHEMBL4734143 0.88 POLB (0.37) POLBLMNAKMT2AEPHX2MTOR
Trifluoroacetic Acid SCHEMBL4730294 0.88 MCHR1 (0.39) POLBF2F10PRSS1PRSS2

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-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

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 POLB 2970/4885LMNA 4794/4885F2 4858/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO POLB 2970/4885LMNA 4794/4885F2 4858/4885
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 2138/4885LMNA 4338/4885F2 4306/4885

“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.