SCHEMBL17106669

SCHEMBL17106669

CSc1ncnn2c(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.34
▸ CDC25B P30305 6/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ PTPN2 P17706 2/20 0.31
▸ PTPN6 P29350 2/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ TACR2 P21452 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SSTR4 P31391 1/20 0.30
▸ GJB2 P29033 1/20 0.30
▸ NT5E P21589 1/20 0.30

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
SCHEMBL19412708 1.00 PTPN1 (0.34) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL24557910 0.93 PDE2A (0.34) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL17106824 0.87 PTPN1 (0.36) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL18490453 0.87 PDE2A (0.38) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL21759078 0.87 PDE2A (0.38) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL24539016 0.87 PDE2A (0.38) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL30592031 0.87 PDE2A (0.38) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL20434838 0.87 PDE2A (0.38) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL13648927 0.86 PDE2A (0.34) PTPN1CDC25BPDE2AHTR1AHSPA5
SCHEMBL22579701 0.85 HRH4 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
EP-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 — — EP disclosed
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
EP-3122752-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — US disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO 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 (3 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT PTPN1 3398/4885CDC25B 1008/4885PDE2A 1359/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 PTPN1 922/4885CDC25B 2277/4885PDE2A 431/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT PTPN1 3398/4885CDC25B 1008/4885PDE2A 1359/4885

“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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