SCHEMBL562220

SCHEMBL562220

Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)-c2ccccc2C3CC(=O)[O-])c1C.Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)-c2ccccc2C3CC(=O)[O-])c1C.[Ca+2]

nearest known ligand 0.51

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 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.51
CD274 Q9NZQ7 15/20 0.41
PDCD1 Q15116 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC26A4 O43511 1/20 0.38

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
SCHEMBL562910 0.90 FFAR1 (0.58) FFAR1CD274PDCD1HDAC6SLC26A4
SCHEMBL562221 0.89 FFAR1 (0.57) FFAR1CD274PDCD1HDAC6SLC26A4
SCHEMBL563237 0.88 CD274 (0.43) FFAR1CD274PDCD1HDAC6
SCHEMBL13084417 0.88 FFAR1 (0.51) FFAR1CD274PDCD1HDAC6
SCHEMBL10203819 0.87 FFAR1 (0.50) FFAR1CD274PDCD1HDAC6
SCHEMBL562591 0.85 CD274 (0.42) FFAR1CD274
SCHEMBL562590 0.85 CD274 (0.42) FFAR1CD274
SCHEMBL562634 0.80 FFAR1 (0.47) FFAR1CD274
SCHEMBL561854 0.80 FFAR1 (0.47) FFAR1CD274
SCHEMBL562240 0.80 FFAR1 (0.47) FFAR1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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 (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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 FFAR1 23/4885CD274 3683/4885PDCD1 4394/4885

“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.