SCHEMBL1350477

SCHEMBL1350477

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(OC(COCc2ccccc2)COCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
PPARG P37231 2/20 0.53
CTSS P25774 5/20 0.52
ATM Q13315 2/20 0.49
CTSK P43235 2/20 0.49
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
SYK P43405 1/20 0.42
RAB9A P51151 1/20 0.41
ACE P12821 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL1350478 1.00 PPARA (0.57) PPARAPPARGCTSSATMCTSK
SCHEMBL191549 0.84 ATM (0.55) PPARACTSSATMCTSKRAB9A
SCHEMBL191550 0.84 ATM (0.55) PPARACTSSATMCTSKRAB9A
SCHEMBL1349885 0.82 CTSS (0.51) PPARAPPARGCTSSATMCTSK
SCHEMBL1349883 0.82 CTSS (0.51) PPARAPPARGCTSSATMCTSK
SCHEMBL2292941 0.79 PPARA (0.57) PPARAPPARGCTSSATMCTSK
SCHEMBL27189305 0.78 PPARA (0.51) PPARAPPARGCTSSATMCTSK
SCHEMBL4687407 0.78 CTSS (0.51) CTSSATMCTSKRAB9AS1PR3
SCHEMBL4687402 0.78 CTSS (0.51) CTSSATMCTSKRAB9AS1PR3
SCHEMBL116386 0.77 CTSK (0.66) PPARAPPARGCTSSATMCTSK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063085-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
EP-2234982-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20090170920-A1 SUBSTITUTED HYDANTOINS CHEN SHAOQING 2009-07-02 US disclosed
WO-2009080523-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 US 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 (3 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF PPARA 3503/4885PPARG 2696/4885CTSS 1187/4885
US-20090170920-A1 SUBSTITUTED HYDANTOINS HNMT, HRH3, BRAF PPARA 3503/4885PPARG 2696/4885CTSS 1187/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC PPARA 3199/4885PPARG 4212/4885CTSS 1869/4885

“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.