SCHEMBL4102182

SCHEMBL4102182

Cc1ccc(-c2nsc(CO)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL13908388 0.82 ADORA3 (0.42) ADORA3CYP19A1MEN1KMT2ARAB9A
SCHEMBL1426131 0.82 MEN1 (0.50) ADORA3ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL4107347 0.82 RXFP1 (0.40) RXFP1ADORA3ALDH1A1KDM4ECYP19A1
SCHEMBL4119775 0.81 PPARD (0.48) RXFP1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL4114597 0.81 PPARD (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1425677 0.81 ADORA3 (0.54) RXFP1ADORA3ALDH1A1KDM4EMEN1
SCHEMBL4109809 0.78 PPARD (0.48) ADORA3LMNAPPARDPPARA
SCHEMBL16709327 0.78 CCR1 (0.47) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL4109081 0.78 PPARD (0.51) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL12811499 0.77 RAB9A (0.49) ALDH1A1KDM4ECYP19A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200991-B1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-03-23 EP 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
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-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 (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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD RXFP1 1960/4885ADORA3 1230/4885ALDH1A1 1360/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD RXFP1 1960/4885ADORA3 1230/4885ALDH1A1 1360/4885

“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.