SCHEMBL21758913

SCHEMBL21758913

Nc1ccnn2c(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cnc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ PTPN1 P18031 8/20 0.34
▸ CDC25B P30305 7/20 0.34
▸ HSPA5 P11021 1/20 0.33
▸ PTPN2 P17706 4/20 0.33
▸ PTPN11 Q06124 4/20 0.33
▸ PTPN6 P29350 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ GJB2 P29033 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 1/20 0.31

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
SCHEMBL20434838 0.88 PDE2A (0.38) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL30592031 0.88 PDE2A (0.38) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL21759078 0.88 PDE2A (0.38) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL24539016 0.88 PDE2A (0.38) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL18490453 0.88 PDE2A (0.38) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL19223088 0.85 PTPN1 (0.36) PDE2AHTR1APTPN1CDC25BPTPN2
SCHEMBL19412708 0.82 PTPN1 (0.34) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL17106669 0.82 PTPN1 (0.34) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL12243227 0.80 PDE2A (0.37) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL20434901 0.79 PDE2A (0.37) PDE2AHTR1APTPN1CDC25BPTPN2

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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 — — 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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 PDE2A 255/4885HTR1A 1140/4885PTPN1 2247/4885

“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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