SCHEMBL2680046

SCHEMBL2680046

Nc1nc2c(ncn2[C@@H]2O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H]2OS(=O)(=O)O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 8/20 0.61
NT5E P21589 1/20 0.57
PNP P00491 1/20 0.56
KRAS P01116 6/20 0.55
GSK3A P49840 2/20 0.54
RPS6KA3 P51812 2/20 0.54
MAPK14 Q16539 2/20 0.54
TGM2 P21980 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52

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
SCHEMBL2674769 0.91 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675383 0.91 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL10001265 0.91 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL11431237 0.85 HPGD (0.56) HINT1NT5EPNPKRASGSK3A
SCHEMBL27575151 0.82 HINT1 (0.74) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675390 0.82 HINT1 (0.71) HINT1NT5EPNPKRASGSK3A
SCHEMBL29464007 0.82 HINT1 (0.51) HINT1NT5EPNPKRASGSK3A
SCHEMBL20143013 0.81 HINT1 (0.59) HINT1NT5EPNPKRASGSK3A
SCHEMBL4371108 0.81 HINT1 (0.63) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675833 0.80 RXFP1 (0.57) HINT1NT5EPNPKRASGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173797-B2 Sulfated nucleoside derivatives including ribonucleoside mono- and disulfates derived from guanine, adenosine, and cytidine CORNELL RESEARCH FOUNDATION, INC. (US) 2012-05-08 US disclosed
US-20080193452-A1 Therapeutic Compounds Derived from Spider Venom and Their Method of Use CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-14 US disclosed
WO-2006130161-A2 THERAPEUTIC COMPOUNDS DERIVED FROM SPIDER VENOM AND THEIR METHOD OF USE THE CORNELL RESEARCH FOUNDATION, INC. (US) 2006-12-07 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-20080193452-A1 Therapeutic Compounds Derived from Spider Venom and Their Method of Use ADAR, FUT5, CSGALNACT1 HINT1 920/4885NT5E 47/4885PNP 86/4885

“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.