SCHEMBL2828322

SCHEMBL2828322

Cc1cccc(COc2cc(C(C)(C)C)nn2Cc2ccc(COc3ccc(CCC(=O)[O-])c(F)c3)cc2)n1.Cc1cccc(COc2cc(C(C)(C)C)nn2Cc2ccc(COc3ccc(CCC(=O)[O-])c(F)c3)cc2)n1.[Ca+2]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
ALOX5AP P20292 3/20 0.40
FFAR4 Q5NUL3 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL2827555 0.92 FFAR1 (0.49) FFAR1ALOX5APFFAR4
SCHEMBL2828319 0.92 FFAR1 (0.48) FFAR1ALOX5APFFAR4
SCHEMBL2823950 0.90 FFAR1 (0.40) FFAR1ALOX5APFFAR4HTR2AHTR2C
SCHEMBL2822494 0.89 GRN (0.43) FFAR1FFAR4HTR2AHTR2CSLC6A4
SCHEMBL2823942 0.82 FFAR1 (0.50) FFAR1FFAR4ALDH1A1
SCHEMBL2822493 0.81 FFAR1 (0.49) FFAR1FFAR4ALDH1A1
SCHEMBL13226343 0.81 FFAR1 (0.45) FFAR1ALOX5APFFAR4HTR2AHTR2C
SCHEMBL2827568 0.80 FFAR1 (0.42) FFAR1FFAR4ALDH1A1
SCHEMBL2828400 0.80 FFAR1 (0.43) FFAR1FFAR4ALDH1A1
SCHEMBL3631900 0.79 HTR2A (0.38) FFAR1ALOX5APFFAR4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP 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 (1 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 FFAR1 2/4885ALOX5AP 200/4885FFAR4 6/4885

“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.