SCHEMBL4117787

SCHEMBL4117787

OCc1nsc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
NOTUM Q6P988 5/20 0.47
PPARD Q03181 1/20 0.42
GFER P55789 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
THRB P10828 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4113349 0.84 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1NOTUM
SCHEMBL12811420 0.82 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1NOTUM
SCHEMBL13934200 0.82 ALDH1A1 (0.42) ADORA3ADORA2AADORA2BADORA1PPARD
SCHEMBL15348524 0.81 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1NOTUM
SCHEMBL4111614 0.81 ABL1 (0.49) ADORA3ADORA2AADORA2BADORA1PPARD
SCHEMBL4107510 0.78 SCD (0.47) PPARDALDH1A1KMT2AMAPTPOLB
SCHEMBL17055937 0.74 POLB (0.40) NOTUMALDH1A1KMT2AMAPTPOLB
SCHEMBL4108029 0.74 PPARD (0.50) ADORA1PPARDMAPT
SCHEMBL31120321 0.73 CYP19A1 (0.66) ADORA3ADORA2AADORA2BADORA1NOTUM
SCHEMBL2361574 0.72 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 US disclosed
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 US disclosed
EP-2200991-B1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-03-23 EP disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 US disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
WO-2009037485-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2009-03-26 WO disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
EP-1684752-B1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-16 EP disclosed
CN-1897939-A Phenoxyacetic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) dual agonists JANSSEN PHARMACEUTICA NV (BE) 2007-01-17 CN disclosed
EP-1684752-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-02 EP disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
WO-2005041959-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-12 WO disclosed
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD ADORA3 1230/4885ADORA2A 978/4885ADORA2B 2156/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ADORA3 1230/4885ADORA2A 978/4885ADORA2B 2156/4885
US-20100273837-A1 ANTIBACTERIAL AGENTS SQOR, SCO2, CYCS ADORA3 2321/4885ADORA2A 4389/4885ADORA2B 3561/4885

“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.