Sugi Predict

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SCHEMBL1349362

SCHEMBL1349362

CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ S1PR3 Q99500 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ SUCNR1 Q9BXA5 5/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL1349363 1.00 CTSS (0.51) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3379647 0.90 CTSS (0.48) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3379645 0.90 CTSS (0.48) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL844276 0.89 CTSS (0.50) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL844327 0.89 CTSS (0.50) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL844277 0.89 CTSS (0.50) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL844326 0.89 CTSS (0.50) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3811492 0.88 ITGB3 (0.51) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3814568 0.88 ITGB3 (0.51) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3377050 0.87 CTSS (0.53) CTSSCTSKITGB3ITGA2BS1PR3

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 6 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
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
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US 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 CTSS 1187/4885CTSK 1484/4885ITGB3 4777/4885
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.