SCHEMBL2762011

SCHEMBL2762011

C[C@H](c1ccccc1)N1C[C@@](C)(C(=O)O)C(C(O)C[Si](C)(C)C(C)(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 14/20 0.35
CYP2C9 P11712 6/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 3/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL2242524 0.89 KMT2A (0.36) KMT2AHSD11B1CYP2C9CYP3A4GAA
SCHEMBL3092506 0.78 KMT2A (0.37) KMT2AHSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL3977195 0.77 KMT2A (0.45) KMT2AHSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL740950 0.76 KCNA5 (0.31) KMT2A
SCHEMBL4190391 0.75 KMT2A (0.47) KMT2AHSD11B1CYP2C9CYP2C19GAA
SCHEMBL14319753 0.75 KMT2A (0.47) KMT2AHSD11B1CYP2C19GAAMAPK1
SCHEMBL4181294 0.75 KMT2A (0.47) KMT2AHSD11B1CYP2C9CYP2C19GAA
SCHEMBL3975085 0.74 KMT2A (0.44) KMT2AHSD11B1CYP2C19GAAMAPK1
SCHEMBL13764766 0.74 KMT2A (0.44) KMT2AHSD11B1CYP2C19GAAMAPK1
SCHEMBL4179796 0.74 KMT2A (0.44) KMT2AHSD11B1CYP2C19GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-7842818-B2 Process for preparation of tetrasubstituted 5-azaspiro[2.4]- heptane derivatives and optically active intermediates thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-10-29 US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (4 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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 KMT2A 2610/4885HSD11B1 849/4885CYP2C9 369/4885
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 KMT2A 4244/4885HSD11B1 241/4885CYP2C9 128/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 KMT2A 2807/4885HSD11B1 634/4885CYP2C9 357/4885
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES HTR7, UGT1A7, H1-5 KMT2A 798/4885HSD11B1 1516/4885CYP2C9 895/4885

“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.