Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4732363

CCOc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CNC(=O)C1CCC(NC)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.43
RXFP1 Q9HBX9 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 2/20 0.38
OPRK1 P41145 4/20 0.38
THRB P10828 1/20 0.38
EPHX2 P34913 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SRD5A2 P31213 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
Hydrochloric Acid SCHEMBL4731283 0.96 PPARD (0.43) PPARDRXFP1PPARGPPARAMAPT
Trifluoroacetic Acid SCHEMBL4732768 0.91 QRFPR (0.44) PPARDRXFP1PPARGPPARAEPHX2
Trifluoroacetic Acid SCHEMBL4732367 0.89 PPARD (0.42) PPARDOPRM1OPRD1PPARGPPARA
SCHEMBL4734449 0.88 HPGD (0.45) RXFP1EPHX2NPC1PKMRAB9A
Trifluoroacetic Acid SCHEMBL4735926 0.86 POLB (0.38) EPHX2PKMRAB9APOLB
Trifluoroacetic Acid SCHEMBL4732679 0.86 PPARD (0.39) PPARDRXFP1OPRM1OPRD1MAPT
Hydrochloric Acid SCHEMBL4732978 0.85 PPARD (0.50) PPARDRXFP1PPARGPPARAMAPT
Hydrochloric Acid SCHEMBL4731484 0.85 MAPT (0.41) PPARDRXFP1MAPTTHRBALDH1A1
Hydrochloric Acid SCHEMBL4731288 0.85 NPBWR1 (0.45) PPARDPPARGPPARAPOLBSRD5A2
Hydrochloric Acid SCHEMBL4731301 0.85 MAPT (0.47) RXFP1MAPTTHRBNPC1PKM

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-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
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 1379/4885RXFP1 2112/4885OPRM1 1639/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX PPARD 630/4885RXFP1 4040/4885OPRM1 3996/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO PPARD 1379/4885RXFP1 2112/4885OPRM1 1639/4885
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 345/4885RXFP1 1232/4885OPRM1 3963/4885

“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.