Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4728849

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 2/20 0.41
ACLY P53396 1/20 0.39
HTR5A P47898 1/20 0.38
GPR6 P46095 2/20 0.38
SLC2A1 P11166 3/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PTGER2 P43116 2/20 0.36
PARP1 P09874 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL4731677 0.92 PARP1 (0.36) MEN1RAB9AKMT2AHDAC1HTR5A
Trifluoroacetic Acid SCHEMBL4730294 0.92 MCHR1 (0.39) ACLYGPR6BACE1PARP1
Trifluoroacetic Acid SCHEMBL4731470 0.91 TRPA1 (0.42) MEN1KMT2AHDAC1
Trifluoroacetic Acid SCHEMBL4735931 0.90 HDAC1 (0.37) HDAC1HTR5AGPR6SLC2A1BCHE
Trifluoroacetic Acid SCHEMBL4734028 0.90 KIF11 (0.42) MEN1KMT2AHDAC1GPR6PARP1
Trifluoroacetic Acid SCHEMBL4735936 0.89 CNR1 (0.41) CNR1CNR2ALDH1A1
Trifluoroacetic Acid SCHEMBL4734021 0.89 HTT (0.38) MEN1KMT2AHDAC1ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4733338 0.89 GPR6 (0.40) GPR6
Trifluoroacetic Acid SCHEMBL4731371 0.88 MCHR1 (0.41) GPR6SLC2A1PTGER2
Trifluoroacetic Acid SCHEMBL4734148 0.88 FFAR1 (0.35) PARP1

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-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO 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 (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 MEN1 2815/4885RAB9A 3007/4885KMT2A 692/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO MEN1 2815/4885RAB9A 3007/4885KMT2A 692/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MEN1 2815/4885RAB9A 3007/4885KMT2A 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 MEN1 3071/4885RAB9A 2945/4885KMT2A 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.