SCHEMBL4010175

SCHEMBL4010175

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.64
ADORA2A P29274 3/20 0.64
ADORA2B P29275 3/20 0.64
HSP90B1 P14625 2/20 0.64
HIF1A Q16665 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
PRMT5 O14744 1/20 0.60
WDR77 Q9BQA1 1/20 0.60
KMT2A Q03164 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
ADORA1 P30542 2/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
BLM P54132 1/20 0.59
HSP90AA1 P07900 1/20 0.59
DPP4 P27487 1/20 0.58
MEN1 O00255 1/20 0.58
SLC28A1 O00337 1/20 0.58

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
SCHEMBL8142114 0.91 PRMT5 (0.63) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL31001599 0.88 ADORA3 (0.60) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL31680251 0.87 AHCY (0.68) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL397800 0.87 AHCY (0.68) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL7803295 0.86 AHCY (0.67) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL6671788 0.86 AHCY (0.67) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL2040666 0.85 PRMT5 (0.66) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL3904194 0.84 PRMT5 (0.55) AHCYADORA2AADORA2BHSP90B1HIF1A
SCHEMBL4011368 0.84 CA1 (0.64) ADORA2AADORA2BADORA3ADORA1
SCHEMBL10619720 0.84 CA1 (0.49) AHCYADORA2AADORA2BHSP90B1HIF1A

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 9 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-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-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-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 (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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH AHCY 30/4885ADORA2A 653/4885ADORA2B 1427/4885
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 AHCY 2042/4885ADORA2A 4635/4885ADORA2B 4770/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH AHCY 30/4885ADORA2A 653/4885ADORA2B 1427/4885

“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.