SCHEMBL4785157

SCHEMBL4785157

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
USP2 O75604 6/20 0.41
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CLK4 Q9HAZ1 5/20 0.41
CYP2D6 P10635 5/20 0.41
CYP2C19 P33261 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 3/20 0.39
CYP2C9 P11712 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PPARG P37231 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 0.89 MAPK14 (0.48) MAPK14ALDH1A1CYP2C9PDE4APDE4B
SCHEMBL4732929 0.89 PDE4A (0.49) MAPK14CYP2C9PDE4APDE4BPDE4C
SCHEMBL4735022 0.88 MAPK14 (0.46) MAPK14ALDH1A1PPARGPPARDPPARA
SCHEMBL4735236 0.87 MAPK14 (0.45) MAPK14CYP1A2CYP2D6ALDH1A1CYP2C9
SCHEMBL4730383 0.86 MAPK14 (0.45) MAPK14ALDH1A1TACR1SMN1; SMN2HTT
SCHEMBL14271056 0.86 CYP1A2 (0.45) USP2CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL4733139 0.86 MAPK14 (0.46) MAPK14CYP2C9PDE4APDE4BPDE4C
SCHEMBL4785168 0.85 CYP1A2 (0.43) USP2CYP1A2CYP3A4CLK4CYP2D6
Hydrochloric Acid SCHEMBL4734464 0.85 CYP1A2 (0.44) USP2CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL4731290 0.85 MAPK14 (0.41) MAPK14ALDH1A1LMNAPPARGPPARD

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 4 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-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 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 (1 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-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MAPK14 1590/4885USP2 919/4885CYP1A2 4680/4885

“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.