SCHEMBL1961041

SCHEMBL1961041

CO[C@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@@H](O)[C@]1(CC[Si](C)(C)C)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.38
SLC6A2 P23975 1/20 0.37
HTR1A P08908 1/20 0.35
TACR2 P21452 1/20 0.34
PDE2A O00408 1/20 0.34
PTPN1 P18031 6/20 0.33
CDC25B P30305 6/20 0.33
GJB2 P29033 2/20 0.33
SSTR4 P31391 2/20 0.33
PDE4D Q08499 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
HTT P42858 1/20 0.33
PTPN2 P17706 2/20 0.32
PTPN6 P29350 2/20 0.32
PTPN11 Q06124 2/20 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
SCHEMBL2450072 0.81 TACR2 (0.35) HSPA5SLC6A2HTR1ATACR2PTPN1
SCHEMBL8655409 0.79 HTR1A (0.43) HTR1ATACR2PTPN1CDC25BGJB2
SCHEMBL9148642 0.75 GJB2 (0.47) TACR2PTPN1CDC25BGJB2PTPN2
SCHEMBL2455059 0.74 PTPN1 (0.38) HTR1ATACR2PTPN1CDC25BPTPN2
SCHEMBL260047 0.71 TACR2 (0.39) SLC6A2HTR1ATACR2PTPN1CDC25B
SCHEMBL1961043 0.70 GJB2 (0.45) HSPA5SLC6A2PTPN1CDC25BGJB2
SCHEMBL1780241 0.70 GJB2 (0.45) HSPA5SLC6A2PTPN1CDC25BGJB2
SCHEMBL8374052 0.70 SLC6A2 (0.58) HSPA5SLC6A2PTPN1CDC25BGJB2
SCHEMBL21878075 0.70 SLC6A2 (0.58) HSPA5SLC6A2PTPN1CDC25BGJB2
SCHEMBL8374053 0.70 SLC6A2 (0.58) HSPA5SLC6A2PTPN1CDC25BGJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318696-B2 Polysaccharides with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative SANOFI (FR) 2012-11-27 US disclosed
US-20110144042-A1 Novel Polysaccharides with Antithrombotic Activity Comprising at Least One Covalent Bond with Biotin or a Biotin Derivative SANOFI-AVENTIS (FR) 2011-06-16 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 (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-20110144042-A1 Novel Polysaccharides with Antithrombotic Activity Comprising at Least One Covalent Bond with Biotin or a Biotin Derivative SERPINC1, SELP, FGB HSPA5 3361/4885SLC6A2 4762/4885HTR1A 4378/4885

“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.