Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4730245

CNC1CCC(NCc2cc(-c3cccc([S+](C)[O-])c3)ccc2OC)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
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SCN9A Q15858 1/20 0.35
DHFR P00374 1/20 0.35
SLC2A1 P11166 2/20 0.35
TACR1 P25103 6/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 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 SCHEMBL4734511 0.92 TACR1 (0.36) ADORA2AADORA2BADORA1PPARDPPARA
Trifluoroacetic Acid SCHEMBL4730241 0.90 HPGD (0.41) ADORA2AADORA2BADORA1PPARGPPARD
Trifluoroacetic Acid SCHEMBL4733119 0.85 SLC2A1 (0.40) SLC2A1TACR1PDCD1CD274MEN1
Trifluoroacetic Acid SCHEMBL4732317 0.82 PPARA (0.46) ADORA2AADORA2BADORA1PPARGPPARD
Trifluoroacetic Acid SCHEMBL4734503 0.82 HPGD (0.41) MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL4732776 0.82 PDE4A (0.40) ADORA2AADORA2BADORA1PPARGPPARD
Trifluoroacetic Acid SCHEMBL4733937 0.82 PPARD (0.39) ADORA2AADORA2BADORA1PPARDPPARA
SCHEMBL4730244 0.80 BDKRB1 (0.32) PPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL4731913 0.80 ALDH1A1 (0.41) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4733550 0.79 PSEN1 (0.40) ADORA2AADORA2BADORA1TACR1PDE4B

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 9 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-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
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 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 ADORA2A 3094/4885ADORA2B 4141/4885ADORA1 3543/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX ADORA2A 3629/4885ADORA2B 3106/4885ADORA1 4317/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO ADORA2A 3094/4885ADORA2B 4141/4885ADORA1 3543/4885
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 ADORA2A 1185/4885ADORA2B 1266/4885ADORA1 731/4885

“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.