SCHEMBL622573

SCHEMBL622573

NC(N)c1csc(-c2nccs2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ADORA2A P29274 9/20 0.39
ADORA1 P30542 9/20 0.39
PDPK1 O15530 1/20 0.37
ADORA3 P0DMS8 4/20 0.36
ADORA2B P29275 4/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NOS1 P29475 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL18675868 0.75 HSP90AA1 (0.47) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL30534095 0.74 PDPK1 (0.56) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL102331 0.72 PDPK1 (0.59) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL3799812 0.71 SPHK2 (0.56) HSP90AA1ADORA2AADORA1PDPK1ADORA3
SCHEMBL28231871 0.71 ADORA2A (0.46) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL29471933 0.71 ADORA2A (0.43) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL30632310 0.70 PDPK1 (0.56) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL28154527 0.70 PDPK1 (0.56) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL31556353 0.70 PDPK1 (0.56) LOXL2HSP90AA1ADORA2AADORA1PDPK1
SCHEMBL15888379 0.67 ADORA2A (0.46) LOXL2HSP90AA1ADORA2AADORA1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190117683-A1 ALGINATE OLIGOMERS FOR THE TREATMENT OR PREVENTION OF MICROBIAL OVERGROWTH IN THE INTESTINAL TRACT ALGIPHARMA AS (NO) 2019-04-25 US claimed
US-20180055873-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-03-01 US claimed
EP-3273995-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-01-31 EP claimed
WO-2017060388-A1 ALGINATE OLIGOMERS FOR THE TREATMENT OR PREVENTION OF MICROBIAL OVERGROWTH IN THE INTESTINAL TRACT ALGIPHARMA AS (NO) 2017-04-13 WO claimed
WO-2016151051-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2016-09-29 WO claimed
EP-3273995-B1 COMBINED USE OF ALGINATE OLIGOMERS AND THE CFTR MODULATOR LUMACAFTOR IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2021-07-14 EP disclosed
US-20210030891-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS ALGIPHARMA AS (NO) 2021-02-04 US disclosed
EP-3768323-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS ALGIPHARMA AS (NO) 2021-01-27 EP disclosed
US-10751363-B2 Use of aliginate oligomers and CFTR modulators in treatment of conditions associated with CFTR dysfunction ALGIPHARMA AS (NO) 2020-08-25 US disclosed
WO-2019180047-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS ALGIPHARMA AS (NO) 2019-09-26 WO disclosed
US-20180055873-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-03-01 US disclosed
EP-3273995-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-01-31 EP disclosed
EP-2152266-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION Ironwood Pharmaceuticals, Inc. (US) 2010-02-17 EP disclosed
WO-2006101740-A3 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-04 WO disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
WO-2008137318-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION IRONWOOD PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
EP-1863522-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-12 EP disclosed
EP-1863522-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-12 EP disclosed
WO-2006101740-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 WO disclosed
WO-2006101740-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 WO 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 (2 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-20210030891-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS MUC1, ALG1, ST3GAL3 LOXL2 937/4885HSP90AA1 3112/4885ADORA2A 2790/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT LOXL2 4513/4885HSP90AA1 2893/4885ADORA2A 2885/4885

“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.