SCHEMBL5872464

SCHEMBL5872464

O=c1[nH]c(=O)n([C@@H]2CC(O)[C@H](CO)O2)cc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.76
TK1 P04183 2/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALOX12 P18054 1/20 0.64
ADRA1A P35348 1/20 0.64

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
SCHEMBL5982470 1.00 TYMS (0.76) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL13273335 1.00 TYMS (0.76) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL5982466 1.00 TYMS (0.76) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL19777590 1.00 TYMS (0.76) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL5872460 1.00 TYMS (0.76) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL779177 0.91 TYMS (0.73) TYMSTK1
SCHEMBL28937859 0.90 LMNA (0.66) TYMSTK1LMNASMN1; SMN2ALOX12
SCHEMBL5982081 0.89 TYMS (0.61) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL20456162 0.88 TYMS (0.63) TYMSTK1LMNASMN1; SMN2ALOX12
SCHEMBL30083709 0.88 LMNA (0.65) TYMSTK1LMNASMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611816-A Method for efficiently preparing 5-aryl (hetero) ring modified uracil derivative 中国科学院化学研究所 2023-01-17 CN disclosed
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
EP-3174545-A1 EFFICIENT INHIBITION OF HSP27 Technische Universität Dresden (DE) 2017-06-07 EP disclosed
WO-2016016267-A1 EFFICIENT INHIBITION OF HSP27 Technische Universität Dresden (DE) 2016-02-04 WO disclosed
US-7057027-B2 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-6962783-B2 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2005-11-08 US disclosed
US-6875593-B2 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2005-04-05 US disclosed
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES FROEHLER BRIAN (US) 2004-12-30 US disclosed
EP-0702675-A1 METHOD FOR PALLADIUM CATALYZED CARBON-CARBON COUPLING AND PRODUCTS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-03-27 EP disclosed
EP-0702675-A4 METHOD FOR PALLADIUM CATALYZED CARBON-CARBON COUPLING AND PRODUCTS UNIV WASHINGTON (US) 1996-02-02 EP disclosed
EP-0637965-A4 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES. GILEAD SCIENCES INC (US) 1996-01-24 EP disclosed
US-5428149-A Reacting vinyl and aryl stannanes with 2'-deoxy-5-halo-uridine WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-06-27 US disclosed
EP-0637965-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1995-02-15 EP disclosed
WO-1994029279-A1 METHOD FOR PALLADIUM CATALYZED CARBON-CARBON COUPLING AND PRODUCTS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1994-12-22 WO disclosed
WO-1993010820-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1993-06-10 WO disclosed
EP-0258412-A1 COMPOSITION FOR AND METHOD OF TREATING AIDS AND CERTAIN RELATED DISEASES GREER, Sheldon B. (US) 1988-03-09 EP disclosed
WO-1987004929-A1 COMPOSITION FOR AND METHOD OF TREATING AIDS AND CERTAIN RELATED DISEASES GREER SHELDON B 1987-08-27 WO disclosed
US-4210638-A 5-TRIFLUOROMETHYL-2'-DEOXYCYCTIDINE AND TETRAHYDROURIDINE OR 2'-DEOXYTETRAHYDROURIDINE PCR, INC. (US) 1980-07-01 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 (4 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 TYMS 600/4885TK1 213/4885LMNA 4404/4885
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES NUDT1, DHX15, DDX5 TYMS 9/4885TK1 43/4885LMNA 1678/4885
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 HSPB1, HSP90AB2P, HSP90B1 TYMS 2402/4885TK1 710/4885LMNA 4242/4885
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 HSPB1, HSP90B1, HSP90AB1 TYMS 600/4885TK1 213/4885LMNA 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.