SCHEMBL2294876

SCHEMBL2294876

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)C(O)C1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA4 P22748 1/20 0.73
CA9 Q16790 1/20 0.73
P2RY1 P47900 4/20 0.72
ADORA1 P30542 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
P2RY2 P41231 3/20 0.72
TAS1R3 Q7RTX0 2/20 0.72
TAS1R1 Q7RTX1 2/20 0.72
SRC P12931 2/20 0.72
DNPH1 O43598 1/20 0.72
PRKAB2 O43741 1/20 0.72
TRPM2 O94759 1/20 0.72
LDHA P00338 1/20 0.72
ADRB2 P07550 1/20 0.72
FBP1 P09467 1/20 0.72
PRKAG1 P54619 1/20 0.72
PRKAA2 P54646 1/20 0.72
PDE4D Q08499 1/20 0.72

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
SCHEMBL2294870 1.00 CA1 (0.73) CA1CA2CA4CA9P2RY1
SCHEMBL14201601 1.00 CA1 (0.73) CA1CA2CA4CA9P2RY1
SCHEMBL30208039 1.00 CA1 (0.73) CA1CA2CA4CA9P2RY1
SCHEMBL29754360 0.93 TAS1R3 (0.75) P2RY1ADORA1SMN1; SMN2P2RY2TAS1R3
SCHEMBL1066377 0.93 TAS1R3 (0.75) P2RY1ADORA1SMN1; SMN2P2RY2TAS1R3
SCHEMBL8954219 0.93 TAS1R3 (0.75) P2RY1ADORA1SMN1; SMN2P2RY2TAS1R3
SCHEMBL11459665 0.92 ADORA1 (0.71) P2RY1ADORA1SMN1; SMN2P2RY2TAS1R3
SCHEMBL35050 0.89 ADORA1 (0.68) P2RY1ADORA1SMN1; SMN2P2RY2TAS1R3
SCHEMBL4650247 0.89 IARS1 (0.69) P2RY1ADORA1SMN1; SMN2P2RY2TAS1R3
SCHEMBL1796966 0.88 ATG7 (0.63) CA1CA2CA4CA9P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
EP-2074126-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
WO-2008049105-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 WO disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed
WO-2006113615-A2 ANTI-MICROBIAL AGENTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-26 WO disclosed
US-4992426-A Antiparasitic 5'-sulfamoyl nucleosides NUCLEIC ACID RESEARCH INSTITUTE (US) 1991-02-12 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH CA1 4226/4885CA2 2174/4885CA4 3206/4885
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 CA1 4466/4885CA2 4557/4885CA4 4758/4885
US-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CA1 4489/4885CA2 1905/4885CA4 3061/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH CA1 4226/4885CA2 2174/4885CA4 3206/4885

“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.