SCHEMBL3375508

SCHEMBL3375508

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(OCCCO[C@@H]2CCCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
HRH2 P25021 6/20 0.40
HRH1 P35367 6/20 0.40
SUCNR1 Q9BXA5 4/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL3375513 1.00 MEN1 (0.57) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3375515 1.00 MEN1 (0.57) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3376332 0.99 MEN1 (0.58) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3376341 0.99 MEN1 (0.58) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3376335 0.99 MEN1 (0.58) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL16333943 0.95 MEN1 (0.53) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3373872 0.95 MEN1 (0.53) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3373882 0.95 MEN1 (0.53) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3373875 0.95 MEN1 (0.53) MEN1KMT2AITGB3ITGA2BCTSS
SCHEMBL3377645 0.93 MEN1 (0.50) MEN1KMT2AITGB3ITGA2BCTSS

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
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-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 (2 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 MEN1 444/4885KMT2A 179/4885ITGB3 4777/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC MEN1 1615/4885KMT2A 1913/4885ITGB3 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.