SCHEMBL4977332

SCHEMBL4977332

O=c1[nH]c(=O)n([C@@H]2CO[C@H](CO)[C@@H](O)C2)cc1I

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.67
PYGM P11217 1/20 0.55
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX12 P18054 1/20 0.46
ADRA1A P35348 1/20 0.46
TK2 O00142 1/20 0.45
BCHE P06276 2/20 0.43

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
SCHEMBL1469836 1.00 TK1 (0.67) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL1469838 1.00 TK1 (0.67) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL1469822 0.85 TK1 (0.52) TK1LMNATSHRBLMPMP22
SCHEMBL8296296 0.85 TK1 (0.52) TK1LMNATSHRBLMPMP22
SCHEMBL1469823 0.85 TK1 (0.52) TK1LMNATSHRBLMPMP22
SCHEMBL8907771 0.84 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8292256 0.83 TK1 (0.70) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Idoxuridine SCHEMBL9951400 0.80 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
Idoxuridine SCHEMBL37714 0.80 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
Idoxuridine SCHEMBL13252710 0.80 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608809-B1 Antiviral tetrahydropyrans BRISTOL MYERS SQUIBB CO (US) 1999-07-07 EP claimed
US-5607922-A VIRICIDES AGAINST HERPES SIMPLEX, VACCINA OR VARICELLA ZOSTER STICHTING REGA VZW (BE) 1997-03-04 US claimed
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2021-03-09 US disclosed
US-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2018-07-26 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
US-20080038745-A1 NUCLEOTIDE ANALOGS WITH SIX-MEMBERED RINGS BERGMANN FRANK 2008-02-14 US disclosed
US-7276592-B2 Nucleotide analogs with six-membered rings ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-10-02 US disclosed
US-20050004078-A1 Nucleotide analogs with six-membered rings ROCHE DIAGNOSTICS OPERATIONS, INC. 2005-01-06 US disclosed
EP-1466919-A1 Nucleotide analogs with six membered rings Roche Diagnostics GmbH (DE) 2004-10-13 EP disclosed
EP-0608809-B1 Antiviral tetrahydropyrans BRISTOL MYERS SQUIBB CO (US) 1999-07-07 EP disclosed
EP-0646125-B1 1,5-ANHYDROHEXITOL NUCLEOSIDE ANALOGUES AND PHARMACEUTICAL USE THEREOF STICHTING REGA V Z W (BE) 1998-05-27 EP disclosed
US-5668113-A Method of using 1,5-anhydrohexitol nucleoside analogues to treat viral infections STICHTING REGA VZW (BE) 1997-09-16 US disclosed
US-5607922-A VIRICIDES AGAINST HERPES SIMPLEX, VACCINA OR VARICELLA ZOSTER STICHTING REGA VZW (BE) 1997-03-04 US disclosed
US-5414096-A Antiviral tetrahydropyrans BRISTOL-MYERS SQUIBB CO. (US) 1995-05-09 US disclosed
EP-0646125-A1 1,5-ANHYDROHEXITOL NUCLEOSIDE ANALOGUES AND PHARMACEUTICAL USE THEREOF Stichting REGA V.Z.W. (BE) 1995-04-05 EP disclosed
EP-0608809-A1 Antiviral tetrahydropyrans BRISTOL-MYERS SQUIBB COMPANY (US) 1994-08-03 EP disclosed
US-5314893-A Antiviral tetrahydropyrans BRISTOL-MYERS SQUIBB CO. (US) 1994-05-24 US disclosed
WO-1993025565-A1 1,5-ANHYDROHEXITOL NUCLEOSIDE ANALOGUES AND PHARMACEUTICAL USE THEREOF STICHTING REGA VZW (BE) 1993-12-23 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 (5 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-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 HSPB1, HSP90B1, HSP90AB1 TK1 213/4885PYGM 2321/4885LMNA 4404/4885
US-20050004078-A1 Nucleotide analogs with six-membered rings NUDT1, TYMS, RNGTT TK1 40/4885PYGM 3992/4885LMNA 778/4885
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 HSPB1, HSP90AB2P, HSP90B1 TK1 710/4885PYGM 2182/4885LMNA 4242/4885
US-20080038745-A1 NUCLEOTIDE ANALOGS WITH SIX-MEMBERED RINGS NUDT1, TYMS, RNGTT TK1 40/4885PYGM 3992/4885LMNA 778/4885
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 HSPB1, HSP90B1, HSP90AB1 TK1 213/4885PYGM 2321/4885LMNA 4404/4885

“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.