SCHEMBL5364019

SCHEMBL5364019

COC(=O)[C@]1(C(N)=O)S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.54
▸ ADORA1 P30542 14/20 0.54
▸ ADORA2A P29274 12/20 0.54
▸ PPARG P37231 3/20 0.54
▸ PPARD Q03181 3/20 0.54
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL935916 0.86 ADORA3 (0.64) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5365278 0.84 ADORA3 (0.45) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL14518681 0.84 ADORA3 (0.63) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14296867 0.82 ADORA3 (0.64) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5367251 0.81 ADORA3 (0.45) ADORA3ADORA1ADORA2A
SCHEMBL5365914 0.81 ADORA3 (0.61) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5364016 0.81 ADORA3 (0.61) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518680 0.81 ADORA3 (0.73) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5364017 0.81 ADORA3 (0.73) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL6426881 0.80 ADORA3 (0.58) ADORA3ADORA1ADORA2APPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199127-B2 Purine nucleosides UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-04-03 — — US disclosed
US-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer Government of the United States of America, repres ented by The Secretary, Department of Health and (US) 2005-11-17 — — US disclosed
EP-1578758-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-28 — — EP disclosed
WO-2004038006-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-06 — — 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-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer ADORA3, P2RX3, P2RY1 ADORA3 1/4885ADORA1 5/4885ADORA2A 6/4885

“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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