SCHEMBL2231785

SCHEMBL2231785

Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1.[NaH]

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.81
P2RY2 P41231 1/20 0.67
P2RY4 P51582 1/20 0.67
P2RY6 Q15077 1/20 0.67
NT5E P21589 2/20 0.59
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
TGM2 P21980 1/20 0.55
IMPDH2 P12268 5/20 0.54
IMPDH1 P20839 1/20 0.54
FUT5 Q11128 1/20 0.53
TYMS P04818 1/20 0.53
KRAS P01116 1/20 0.52

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
SCHEMBL17117812 0.99 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL18785118 0.99 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL16678590 0.99 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL1971161 0.99 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL48232 0.99 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL25171429 0.99 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E
Water SCHEMBL7247857 0.98 POLB (0.81) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL29258727 0.95 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL30927571 0.95 POLB (0.77) POLBP2RY2P2RY4P2RY6NT5E
Triphosphate SCHEMBL27909453 0.95 POLB (0.82) POLBP2RY2P2RY4P2RY6NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-10457700-B2 Platinum prodrugs and methods of making and using thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180255813-A1 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2018-09-13 US disclosed
EP-2310534-B1 BASE-DETECTING PORE OXFORD NANOPORE TECH LTD (GB) 2018-09-05 EP disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-20180044362-A1 PLATINUM PRODRUGS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2018-02-15 US disclosed
US-20170190726-A9 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-07-06 US disclosed
US-9447152-B2 Base-detecting pore OXFORD NANOPORE TECHNOLOGIES LIMITED (GB) 2016-09-20 US disclosed
WO-2016144889-A1 PLATINUM PRODRUGS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-09-15 WO disclosed
WO-2015089389-A1 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-06-18 WO disclosed
US-20150152476-A1 REAGENTS AND METHODS FOR DIRECT LABELING OF NUCLEOTIDES MARKER GENE TECHNOLOGIES, INC. 2015-06-04 US disclosed
US-8916346-B2 Reagents and methods for direct labeling of nucleotides Marker Gene Technology, Inc. (US) 2014-12-23 US disclosed
US-20130243769-A1 INDUCED INTERNALIZATION OF SURFACE RECEPTORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2013-09-19 US disclosed
US-20130150254-A1 Reagents and methods for direct labeling of nucleotides MARKER GENE TECHNOLOGIES, INC. 2013-06-13 US disclosed
US-8420620-B2 Induced internalization of surface receptors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-04-16 US disclosed
US-20110177498-A1 BASE-DETECTING PORE OXFORD NANOPORE TECHNOLOGIES LIMITED (GB) 2011-07-21 US disclosed
US-20100297124-A1 INDUCED INTERNALIZATION OF SURFACE RECEPTORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-11-25 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 (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-20130150254-A1 Reagents and methods for direct labeling of nucleotides DUT, DNTT, NUDT1 POLB 27/4885P2RY2 246/4885P2RY4 110/4885
US-20170190726-A9 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR PTGS1, PTGES, PTGIS POLB 1241/4885P2RY2 244/4885P2RY4 69/4885
US-10457700-B2 Platinum prodrugs and methods of making and using thereof MGMT, DPYD, OGG1 POLB 185/4885P2RY2 1990/4885P2RY4 1705/4885
US-20180044362-A1 PLATINUM PRODRUGS AND METHODS OF MAKING AND USING THEREOF MGMT, DPYD, OGG1 POLB 185/4885P2RY2 1990/4885P2RY4 1705/4885
US-20150152476-A1 REAGENTS AND METHODS FOR DIRECT LABELING OF NUCLEOTIDES DUT, DNTT, NUDT1 POLB 27/4885P2RY2 246/4885P2RY4 110/4885

“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.