SCHEMBL1008693

SCHEMBL1008693

CC(C)(Oc1cccc(CNCCC(Oc2ccc(Cl)cc2)c2nc3ccccc3o2)c1)C(=O)[O-].[Na+]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.41
PPARG known ✓ P37231 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PPARA Q07869 9/20 0.39
PPARD Q03181 5/20 0.39
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RY14 Q15391 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1009990 0.95 PPARA (0.43) SMN1; SMN2PPARAPPARGPPARDALDH1A1
SCHEMBL1012086 0.92 PPARA (0.47) SMN1; SMN2POLBMAPTTHRBPPARA
SCHEMBL1009457 0.87 PPARA (0.51) PPARAPPARGPPARDALDH1A1L3MBTL1
SCHEMBL1012221 0.85 PPARA (0.47) PPARAPPARGPPARDP2RY14
SCHEMBL1009987 0.84 PPARA (0.48) SMN1; SMN2POLBMAPTTHRBPPARA
SCHEMBL1008687 0.84 PPARA (0.46) SMN1; SMN2POLBMAPTTHRBPPARA
SCHEMBL1010691 0.84 PPARA (0.36) SMN1; SMN2POLBMAPTTHRBPPARA
SCHEMBL6543048 0.81 PPARG (0.48) SMN1; SMN2POLBMAPTTHRBPPARA
SCHEMBL1012027 0.81 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL1010920 0.81 PPARA (0.49) PPARAPPARGPPARDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661890-B1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KOWA CO (JP) 2011-01-05 EP disclosed
US-7183295-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2007-02-27 US disclosed
US-7109226-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-09-19 US disclosed
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1661890-A1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kowa Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20050101636-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2005-05-12 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 (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-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARA, PPARG, PPARD THRB 90/4885PPARG 2/4885SMN1; SMN2 4340/4885
US-20050101636-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARG, PPARA, PPARD THRB 403/4885PPARG 1/4885SMN1; SMN2 3980/4885

“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.