SCHEMBL4527405

SCHEMBL4527405

C[C@@H]1O[C@@H](n2cnc3c(=S)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.61
▸ HINT1 P49773 3/20 0.47
▸ NT5E P21589 1/20 0.45
▸ STING1 Q86WV6 2/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ ADK P55263 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL9791204 1.00 ADORA3 (0.61) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL27375734 1.00 ADORA3 (0.61) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL4527412 1.00 ADORA3 (0.61) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL4278130 0.86 HINT1 (0.62) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL2510562 0.86 HINT1 (0.62) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL24299397 0.86 HINT1 (0.62) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL19938159 0.86 HINT1 (0.62) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL13833323 0.86 HINT1 (0.62) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL16114092 0.86 HINT1 (0.62) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL5360770 0.85 HINT1 (0.56) ADORA3HINT1NT5ECYP2C19ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488598-B2 Mutant purine nucleoside phosphorylase proteins and cellular delivery thereof CORNELL CENTER FOR TECHNOLOGY ENTERPRISE AND COMMERCIALIZATION (US) 2009-02-10 — — US disclosed
EP-1444335-A4 MUTANT PURINE NUCLEOSIDE PHOSPHORYLASE PROTEINS AND CELLULAR DELIVERY THEREOF UAB RESEARCH FOUNDATION (US) 2006-03-08 — — EP disclosed
US-20050214901-A1 Mutant purine nucleoside phosphorylase proteins and cellular delivery thereof CORNELL CENTER FOR TECHNOLOGY, ENTERPRISE & COIMMERCIALIZATION 2005-09-29 — — US disclosed
EP-1444335-A2 MUTANT PURINE NUCLEOSIDE PHOSPHORYLASE PROTEINS AND CELLULAR DELIVERY THEREOF UAB Research Foundation (US) 2004-08-11 — — EP disclosed
WO-2003035012-A2 MUTANT PURINE NUCLEOSIDE PHOSPHORYLASE PROTEINS AND CELLULAR DELIVERY THEREOF UAB RESEARCH FOUNDATION (US) 2003-05-01 — — 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 (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-20050214901-A1 Mutant purine nucleoside phosphorylase proteins and cellular delivery thereof PNP, UPP1, TYMP ADORA3 974/4885HINT1 127/4885NT5E 44/4885

“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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