SCHEMBL4732153

SCHEMBL4732153

COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CNC1CCC(CNC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
PPARD Q03181 10/20 0.44
PPARA Q07869 7/20 0.44
MTTP P55157 2/20 0.42
PPARG P37231 3/20 0.42
SCN9A Q15858 1/20 0.41
CTSA P10619 1/20 0.39
KIF11 P52732 1/20 0.39
SLC2A1 P11166 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL4735022 0.89 MAPK14 (0.46) MAPK14PPARDPPARAPPARGTACR1
SCHEMBL4733171 0.89 MMP12 (0.47) MAPK14PPARDPPARAPPARGCTSA
SCHEMBL4733139 0.89 MAPK14 (0.46) MAPK14PPARDPPARAPPARGTACR1
SCHEMBL4735236 0.88 MAPK14 (0.45) MAPK14PPARDPPARAPPARG
SCHEMBL4730383 0.87 MAPK14 (0.45) MAPK14TACR1
SCHEMBL4729635 0.86 MAPK14 (0.48) MAPK14PPARDPPARAPPARGTACR1
SCHEMBL4732929 0.85 PDE4A (0.49) MAPK14PPARDPPARAPPARGTACR1
SCHEMBL4734011 0.85 CHEK1 (0.45) MAPK14CTSATACR1
SCHEMBL4784432 0.85 TACR1 (0.43) MAPK14TACR1
SCHEMBL4784057 0.84 MAPK14 (0.44) MAPK14TACR1

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 MAPK14 1590/4885PPARD 1379/4885PPARA 1843/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MAPK14 2476/4885PPARD 630/4885PPARA 1319/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MAPK14 1590/4885PPARD 1379/4885PPARA 1843/4885
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 MAPK14 1080/4885PPARD 345/4885PPARA 301/4885

“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.