Sugi Predict

Sugi Predict / Compounds / SCHEMBL844326

SCHEMBL844326

SCHEMBL844326

COCCOc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ ATM Q13315 1/20 0.44
▸ SUCNR1 Q9BXA5 6/20 0.43
▸ S1PR3 Q99500 1/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ GPR88 Q9GZN0 3/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ACACB O00763 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
SCHEMBL844327 1.00 CTSS (0.50) CTSSCTSKITGB3ITGA2BATM
SCHEMBL3375051 0.96 SUCNR1 (0.48) CTSSCTSKITGB3ITGA2BATM
SCHEMBL3375054 0.96 SUCNR1 (0.48) CTSSCTSKITGB3ITGA2BATM
SCHEMBL3814568 0.94 ITGB3 (0.51) CTSSCTSKITGB3ITGA2BATM
SCHEMBL3811492 0.94 ITGB3 (0.51) CTSSCTSKITGB3ITGA2BATM
SCHEMBL3611054 0.91 CTSS (0.48) CTSSCTSKITGB3ITGA2BSUCNR1
SCHEMBL15107465 0.91 CTSS (0.48) CTSSCTSKITGB3ITGA2BSUCNR1
SCHEMBL844277 0.90 CTSS (0.50) CTSSCTSKITGB3ITGA2BATM
SCHEMBL844276 0.90 CTSS (0.50) CTSSCTSKITGB3ITGA2BATM
SCHEMBL11595296 0.89 CTSS (0.51) CTSSCTSKITGB3ITGA2BATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 — — EP disclosed
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
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
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 — — EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-20090170920-A1 SUBSTITUTED HYDANTOINS CHEN SHAOQING 2009-07-02 — — US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 — — US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 — — EP disclosed
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 — — US disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 — — WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 — — EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — 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
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 — — EP disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 — — US disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 — — US disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 — — 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 (6 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 CTSS 1187/4885CTSK 1484/4885ITGB3 4777/4885
US-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885ITGB3 4727/4885
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 CTSS 4429/4885CTSK 3289/4885ITGB3 3739/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885ITGB3 4727/4885
US-20090170920-A1 SUBSTITUTED HYDANTOINS HNMT, HRH3, BRAF CTSS 1187/4885CTSK 1484/4885ITGB3 4777/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSS 1869/4885CTSK 1094/4885ITGB3 2575/4885

“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.