SCHEMBL3084985

SCHEMBL3084985

C=COC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.67
P2RY6 Q15077 6/20 0.57
P2RY2 P41231 2/20 0.57
P2RY4 P51582 1/20 0.57
TK2 O00142 2/20 0.51
DNPH1 O43598 1/20 0.51
P2RY14 Q15391 3/20 0.48
NT5E P21589 1/20 0.48

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
SCHEMBL3071099 0.90 PYGM (0.55) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL4959490 0.86 PYGM (0.53) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL2400429 0.85 DNPH1 (0.50) PYGMP2RY6TK2DNPH1P2RY14
SCHEMBL6839685 0.83 PYGM (0.81) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL3469958 0.82 DNPH1 (0.74) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL7152602 0.82 PYGM (0.67) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL9796913 0.82 DNPH1 (0.74) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL28372181 0.82 DNPH1 (0.74) PYGMP2RY6P2RY2P2RY4DNPH1
SCHEMBL6758925 0.82 PYGM (0.97) PYGMP2RY6P2RY2P2RY4TK2
SCHEMBL654693 0.82 PYGM (0.97) PYGMP2RY6P2RY2P2RY4TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465734-B2 Methods and compositions for overcoming resistance to biologic and chemotherapy CELMED ONCOLOGY (USA), INC. (CA) 2008-12-16 US claimed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP claimed
EP-2054406-B1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2015-10-07 EP disclosed
US-8492537-B2 Nucleosides for suppressing or reducing the development of resistance in cytostatic therapy RESPROTECT GMBH (DE) 2013-07-23 US disclosed
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotech GmbH (DE) 2010-09-09 US disclosed
EP-2054406-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotect GmbH (DE) 2009-05-06 EP disclosed
WO-2008017515-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2008-02-14 WO disclosed
EP-1745061-A1 NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME Universite D'Avignon et Des Pays Du Vaucluse (FR) 2007-01-24 EP disclosed
WO-2005116043-A1 NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME UNIVERSITE D'AVIGNON ET DES PAYS DE VAUCLUSE (FR) 2005-12-08 WO disclosed
US-5064946-A 3-azido-2,3-dideoxy-B-D-erythro-pentofuranosyl derivatives of 4(1H)-pyrimidinones; antiretroviral, anti-AIDS BURROUGHS WELLCOME CO. (US) 1991-11-12 US disclosed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP 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-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR PYGM 1888/4885P2RY6 835/4885P2RY2 1321/4885

“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.