SCHEMBL4114757

SCHEMBL4114757

CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)ns1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GABRA2 P47869 6/20 0.43
GABRB2 P47870 6/20 0.43

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
SCHEMBL1425674 0.87 MAPT (0.45) MAPTKDM4ETSHRNPC1RAB9A
SCHEMBL12811427 0.83 MAPT (0.42) MAPTKDM4ETSHRNPC1RAB9A
SCHEMBL1426050 0.82 MAPT (0.52) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL1426109 0.81 PTGER1 (0.48)
SCHEMBL4119854 0.79 ABL1 (0.47) MAPTKDM4ERAB9APPARDPPARA
SCHEMBL4111546 0.78 PPARD (0.46) MAPTHSD17B10PPARDPPARAGAA
SCHEMBL31309601 0.77 CYP2C9 (0.41) MAPTKDM4ENPC1HSD17B10GAA
SCHEMBL3435530 0.76 MAPT (0.54) MAPTKDM4ETSHRNPC1RAB9A
SCHEMBL28816278 0.75 HTT (0.56) MAPTKDM4ETSHRNPC1RAB9A
SCHEMBL4374975 0.75 CDC7 (0.55) MAPTKDM4ETSHRNPC1RAB9A

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
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-B1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-16 EP 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 MAPT 4195/4885KDM4E 814/4885TSHR 338/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD MAPT 4195/4885KDM4E 814/4885TSHR 338/4885

“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.