SCHEMBL4364016

SCHEMBL4364016

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TK1 P04183 4/20 0.38
PYGM P11217 1/20 0.37
P2RY6 Q15077 1/20 0.33
SQOR Q9Y6N5 1/20 0.32

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
SCHEMBL1827367 0.88 TK1 (0.44) ALDH1A1POLBTK1
SCHEMBL6258952 0.87 TK1 (0.43) KMT2ATK1PYGMP2RY6
SCHEMBL9744721 0.87 LMNA (0.43) SMN1; SMN2TK1P2RY6
SCHEMBL8167928 0.87 TK2 (0.37) TK1
SCHEMBL8176114 0.86 TK1 (0.33) TK1
SCHEMBL9803727 0.83 TK1 (0.36) TK1
SCHEMBL4366634 0.81 SLC28A1 (0.36) P2RY6
SCHEMBL9745084 0.79 SQOR (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL7024107 0.79 HTT (0.38) ALDH1A1KMT2ATK1
SCHEMBL766611 0.76 PYGM (0.41) ALDH1A1POLBKMT2ASMN1; SMN2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511125-B2 Pyrimidine derivatives for labeled binding partners CARLSBAD (US) 2009-03-31 US disclosed
US-RE39324-E1 Pyrimidine derivatives and oligonucleotides containing same ISIS PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-6967079-B2 Pyrimidine derivatives for labeled binding partners ISIS PHARMACEUTICALS, INC. (US) 2005-11-22 US disclosed
US-6951931-B2 Pyrimidine derivatives for labeled binding partners ISIS PHARMACEUTICALS, INC. (US) 2005-10-04 US disclosed
US-20050020826-A1 Pyrimidine derivatives for labeled binding partners LIN KUEI-YING (US) 2005-01-27 US disclosed
EP-1027364-B1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS INC (US) 2004-12-08 EP disclosed
US-6800743-B2 FOR USE AS LABELS IN DIAGNOSTIC ASSAYS AND IN ENHANCING BINDING TO COMPLEMENTARY BASES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-20030207824-A1 Pyrimidine derivatives for labeled binding partners MATTEUCCI MARK D (US) 2003-11-06 US disclosed
US-20030176677-A1 Pyrimidine derivatives for labeled binding partners IONIS PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-6617437-B1 Modified oligonucleotide of given formula; useful in diagnostics and therapeutics ISIS PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-6005096-A FOR OLIGONUCLEOTIDES THAT ARE MODIFIED TO ENHANCE THE BINDING AFFINITY AND TO BEAR DETECTABLE LABELS; FOR DIAGNOSTIC USE GILEAD SCIENCES, INC. (US) 1999-12-21 US disclosed
WO-1999024452-A9 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS INC (US) 1999-08-12 WO disclosed
WO-1999024452-A2 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed
US-5763588-A Pyrimidine derivatives for labeled binding partners GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed
EP-0719272-A1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
US-5502177-A POLYCYCLIC STRUCTURE BOUND TO OLIGONUCLEOTIDE, FLUORESCENT LABEL, IMMUNOASSAY GILEAD SCIENCES, INC. (US) 1996-03-26 US disclosed
US-5434257-A Binding compentent oligomers containing unsaturated 3',5' and 2',5' linkages GILEAD SCIENCES, INC. (US) 1995-07-18 US disclosed
WO-1995011911-A1 BINDING COMPETENT OLIGOMERS CONTAINING UNSATURATED 3',5' AND 2',5' LINKAGES GLAXO WELLCOME INC. (US) 1995-05-04 WO disclosed
WO-1995007918-A2 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
US-5175273-A Pyridinone or pyrimidinone nucleoside bases containing fused aromatic polycyclic rings GENENTECH, INC. (US) 1992-12-29 US 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-20030176677-A1 Pyrimidine derivatives for labeled binding partners DDB1, RRBP1, PRPF31 ALDH1A1 2172/4885POLB 174/4885KMT2A 2645/4885
US-20030207824-A1 Pyrimidine derivatives for labeled binding partners HNRNPH3, NSUN2, HNRNPH1 ALDH1A1 2764/4885POLB 80/4885KMT2A 2573/4885
US-20050020826-A1 Pyrimidine derivatives for labeled binding partners RBBP4, DDB1, DPYD ALDH1A1 2414/4885POLB 233/4885KMT2A 2500/4885

“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.