Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4733937

CNC1CCC(NCc2cc(-c3ccc(CO)cc3)ccc2OC)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
OPRK1 P41145 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
TACR1 P25103 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC2A1 P11166 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 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
Hydrochloric Acid SCHEMBL4734072 0.90 MEN1 (0.43) MEN1KMT2ATACR1KDM4EGAA
Trifluoroacetic Acid SCHEMBL4732317 0.89 PPARA (0.46) PPARDPPARAMEN1KMT2AADORA2A
Trifluoroacetic Acid SCHEMBL4732776 0.88 PDE4A (0.40) PPARDPPARAMEN1KMT2AADORA2A
Trifluoroacetic Acid SCHEMBL4734511 0.86 TACR1 (0.36) PPARDPPARAMEN1KMT2AADORA2A
SCHEMBL4734453 0.85 MEN1 (0.40) PPARDPPARAMEN1KMT2ATACR1
Trifluoroacetic Acid SCHEMBL4731166 0.84 ADORA2A (0.35) MEN1KMT2AADORA2AADORA2BADORA1
Trifluoroacetic Acid SCHEMBL4731913 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL4733550 0.84 PSEN1 (0.40) MEN1KMT2AADORA2AADORA2BADORA1
Trifluoroacetic Acid SCHEMBL4730619 0.84 GRIN2B (0.38) MEN1KMT2AADORA2AADORA2BADORA1
Trifluoroacetic Acid SCHEMBL4731937 0.83 TACR1 (0.39) MEN1KMT2AADORA2AADORA2BADORA1

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 PPARD 1379/4885PPARA 1843/4885MEN1 2815/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX PPARD 630/4885PPARA 1319/4885MEN1 594/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO PPARD 1379/4885PPARA 1843/4885MEN1 2815/4885
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 PPARD 345/4885PPARA 301/4885MEN1 3071/4885

“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.