SCHEMBL445632

SCHEMBL445632

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1/C=C/Br

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.64
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TK2 O00142 10/20 0.57

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
SCHEMBL2639023 1.00 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL445633 1.00 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2639649 0.88 TK1 (0.49) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8997797 0.88 TK1 (0.49) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8997787 0.88 TK1 (0.49) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3691195 0.82 TK1 (0.60) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8997855 0.82 PYGM (0.52) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8997858 0.82 PYGM (0.52) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2639231 0.82 PYGM (0.52) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9284740 0.82 TK1 (0.60) TK1CYP1A2CYP3A4TSHRBLM

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219602-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION 2012-08-30 US claimed
EP-2280690-A2 METHODS FOR TREATING HERPES VIRUS INFECTIONS Nanobio Corporation (US) 2011-02-09 EP claimed
US-20100075914-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION 2010-03-25 US claimed
WO-2009129470-A2 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION (US) 2009-10-22 WO claimed
EP-0806956-B1 USE OF 5'SUBSTITUTED NUCLEOSIDES TO PROVIDE RESISTANCE IN CYTOSTATIC TREATMENT RESPROTECT GMBH (DE) 2002-08-28 EP claimed
EP-0806956-A1 USE OF 5'SUBSTITUTED NUCLEOSIDES TO PROVIDE RESISTANCE IN CYTOSTATIC TREATMENT AND MEDICAMENTS CONTAINING SAID NUCLEOSIDES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 1997-11-19 EP claimed
WO-1996023506-A1 USE OF 5'SUBSTITUTED NUCLEOSIDES TO PROVIDE RESISTANCE IN CYTOSTATIC TREATMENT AND MEDICAMENTS CONTAINING SAID NUCLEOSIDES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 1996-08-08 WO claimed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US claimed
WO-1994005686-A1 ANOMERISATION PROCESS UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO claimed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP claimed
WO-2013130535-A1 TOPICAL DELIVERY OF HORMONAL AND NON HORMONAL NANO FORMULATIONS, METHODS OF MAKING AND USING THE SAME NEWGEN BIOPHARMA CORPORATION (US) 2013-09-06 WO disclosed
US-20130224268-A1 TOPICAL DELIVERY OF HORMONAL AND NON HORMONAL NANO FORMULATIONS, METHODS OF MAKING AND USING THE SAME NEWGEN BIOPHARMA CORP. (US) 2013-08-29 US disclosed
US-20120219602-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION 2012-08-30 US disclosed
US-20120064136-A1 ANTI-AGING AND WRINKLE TREATMENT METHODS USING NANOEMULSION COMPOSITIONS NANOBIO CORPORATION 2012-03-15 US disclosed
EP-2280690-A2 METHODS FOR TREATING HERPES VIRUS INFECTIONS Nanobio Corporation (US) 2011-02-09 EP disclosed
US-5521163-A TREATMENT OF HERPES VIRUS WITH 1'-DEOXY-5-ETHYL-4'-THIO-BETA URIDINE UNIVERSITY OF BIRMINGHAM (GB) 1996-05-28 US disclosed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
WO-1994005686-A1 ANOMERISATION PROCESS UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO disclosed
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO disclosed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 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 (3 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-20100075914-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS STING1, IFNG, NGF TK1 18/4885CYP1A2 4640/4885CYP3A4 4587/4885
US-20130224268-A1 TOPICAL DELIVERY OF HORMONAL AND NON HORMONAL NANO FORMULATIONS, METHODS OF MAKING AND USING THE SAME SHBG, NR5A1, CYP19A1 TK1 3205/4885CYP1A2 666/4885CYP3A4 1522/4885
US-20120219602-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS STING1, IFNG, NGF TK1 18/4885CYP1A2 4640/4885CYP3A4 4587/4885

“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.