SCHEMBL9888240

SCHEMBL9888240

N[C@@H](CCCC[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNP P00491 17/20 0.62
HPRT1 P00492 1/20 0.56
MTAP Q13126 1/20 0.44

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
SCHEMBL15318133 0.85 PNP (0.64) PNPHPRT1MTAP
SCHEMBL9888106 0.81 PNP (0.73) PNPHPRT1MTAP
SCHEMBL9888108 0.79 PNP (0.76) PNPHPRT1MTAP
Forodesine SCHEMBL15740309 0.78 PNP (1.00) PNPHPRT1
Forodesine SCHEMBL15740194 0.78 PNP (1.00) PNPHPRT1
Forodesine SCHEMBL21386033 0.78 PNP (1.00) PNPHPRT1
Forodesine SCHEMBL15373311 0.78 PNP (1.00) PNPHPRT1
Forodesine SCHEMBL15318145 0.78 PNP (1.00) PNPHPRT1
Forodesine SCHEMBL3896676 0.78 PNP (1.00) PNPHPRT1
Forodesine SCHEMBL2292668 0.78 PNP (1.00) PNPHPRT1

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-9290501-B2 Methods, assays and compounds for treating bacterial infections by inhibiting methylthioinosine phosphorylase ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-03-22 US disclosed
US-20130274220-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
WO-2012074912-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-06-07 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-20130274220-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE MTAP, MPG, MTMR1 PNP 14/4885HPRT1 106/4885MTAP 1/4885

“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.