SCHEMBL13260665

SCHEMBL13260665

C[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1c1scc2c(N)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.41
▸ HSPA5 P11021 2/20 0.40
▸ PTPN1 P18031 6/20 0.37
▸ CDC25B P30305 6/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ GJB2 P29033 2/20 0.35
▸ TACR2 P21452 2/20 0.35
▸ PTPN2 P17706 2/20 0.34
▸ PTPN6 P29350 2/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ NT5E P21589 1/20 0.33

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
SCHEMBL12261243 0.92 PDE2A (0.42) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12261311 0.92 PDE2A (0.42) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12261148 0.79 HSPA5 (0.40) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL21137107 0.77 PDE2A (0.45) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL26812522 0.77 PDE2A (0.45) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL19644579 0.75 PDE2A (0.51) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12260860 0.75 HSPA5 (0.37) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12310816 0.72 HSPA5 (0.31) HSPA5
SCHEMBL17465437 0.70 PDE2A (0.33) PDE2AHSPA5
SCHEMBL12260861 0.70 HSPA5 (0.37) PDE2AHSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170148-A1 BISPECIFIC ANTIBODIES AGAINST HER2 GENMAB A/S (DK) 2014-06-19 — — 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-20140170148-A1 BISPECIFIC ANTIBODIES AGAINST HER2 ERBB2, EGFR, ERBB3 PDE2A 4850/4885HSPA5 2329/4885PTPN1 846/4885

“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.

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