Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4733119

CNC1CCC(NCc2cc(-c3ccccc3[S+](C)[O-])ccc2OC)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.40
CD274 Q9NZQ7 2/20 0.38
PDCD1 Q15116 1/20 0.38
TACR1 P25103 8/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.35
OPRK1 P41145 1/20 0.35
POLB P06746 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34

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 SCHEMBL4733113 0.90 HPGD (0.43) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4734511 0.86 TACR1 (0.36) SLC2A1TACR1MEN1KMT2AKCNH2
Trifluoroacetic Acid SCHEMBL4730245 0.85 ADORA2A (0.38) SLC2A1CD274PDCD1TACR1MEN1
SCHEMBL4733117 0.80 BDKRB1 (0.35) SLC2A1TACR1POLB
Trifluoroacetic Acid SCHEMBL4732317 0.80 PPARA (0.46) TACR1MEN1KMT2AGAA
Trifluoroacetic Acid SCHEMBL4733937 0.79 PPARD (0.39) SLC2A1TACR1MEN1KMT2AOPRK1
Trifluoroacetic Acid SCHEMBL4732776 0.79 PDE4A (0.40) TACR1MEN1KMT2AGAA
Trifluoroacetic Acid SCHEMBL4731913 0.79 ALDH1A1 (0.41) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4731166 0.77 ADORA2A (0.35) SLC2A1TACR1MEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL4733550 0.77 PSEN1 (0.40) TACR1MEN1KMT2AGAACYP2D6

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-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
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 SLC2A1 3047/4885CD274 472/4885PDCD1 350/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO SLC2A1 3047/4885CD274 472/4885PDCD1 350/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SLC2A1 3047/4885CD274 472/4885PDCD1 350/4885
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 SLC2A1 4554/4885CD274 889/4885PDCD1 1373/4885

“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.