SCHEMBL4733701

SCHEMBL4733701

COc1ccc(-c2cccc(C(C)=O)c2)cc1CNC1CCC(CNC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
MAPK14 Q16539 2/20 0.44
PDE4D Q08499 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
TACR1 P25103 1/20 0.40
VCP P55072 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4729635 0.91 MAPK14 (0.48) PPARGPPARDPPARAMAPK14PDE4D
SCHEMBL4735022 0.90 MAPK14 (0.46) PPARGPPARDPPARAMAPK14MEN1
SCHEMBL4735236 0.85 MAPK14 (0.45) PPARGPPARDPPARAMAPK14PDE4D
Hydrochloric Acid SCHEMBL4734744 0.85 MEN1 (0.47) PPARGPPARDPPARAPDE4DMEN1
SCHEMBL4731664 0.85 CTSA (0.42) PPARGPPARDPPARAMAPK14MEN1
SCHEMBL4732929 0.85 PDE4A (0.49) PPARGPPARDPPARAMAPK14PDE4D
SCHEMBL4730383 0.84 MAPK14 (0.45) MAPK14MEN1KMT2ATACR1HTT
SCHEMBL4731818 0.84 MKNK1 (0.43) MAPK14PDE4ATACR1VCP
SCHEMBL4733705 0.84 PPARG (0.45) PPARGPPARDPPARAPDE4DMEN1
SCHEMBL12540631 0.84 PPARG (0.42) PPARGPPARDPPARAPDE4DMEN1

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-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
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 PPARG 1367/4885PPARD 1379/4885PPARA 1843/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX PPARG 753/4885PPARD 630/4885PPARA 1319/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO PPARG 1367/4885PPARD 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 PPARG 169/4885PPARD 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.