SCHEMBL3815413

SCHEMBL3815413

CCOC(=O)C(Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
BCL2 P10415 4/20 0.44
SCN9A Q15858 1/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MCL1 Q07820 1/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3815407 1.00 ALDH1A1 (0.50) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL13287076 0.96 ALDH1A1 (0.47) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL13286853 0.93 ALDH1A1 (0.45) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL30153769 0.92 GSTP1 (0.50) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL1151881 0.92 GSTP1 (0.50) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL19293085 0.92 GSTP1 (0.50) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL1151883 0.92 GSTP1 (0.50) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL8330412 0.91 ITGA4 (0.43) ALDH1A1ITGA4ITGB7GSTP1GSTM2
SCHEMBL1377336 0.89 ITGA4 (0.50) ALDH1A1ITGA4ITGB7MAPTKDM4E
SCHEMBL8327086 0.89 ITGA4 (0.50) ALDH1A1ITGA4ITGB7MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
CN-1301964-C Inhibitors of alpha 4-mediated cell adhesion TANABE SEIYAKU CO (JP) 2007-02-28 CN disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN 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-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ALDH1A1 552/4885ITGA4 4478/4885ITGB7 4209/4885

“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.