SCHEMBL21060873

SCHEMBL21060873

CCCCCCCCCCCCCc1c[nH]c(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
PPARA Q07869 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 2/20 0.44
SAE1 Q9UBE0 2/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
TYR P14679 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
GPR35 Q9HC97 1/20 0.40
RARB P10826 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40

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
SCHEMBL9000186 0.87 BID (0.44) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21060904 0.83 SMN1; SMN2 (0.47) TYRMAPTALDH1A1KDM4EALOX15
SCHEMBL21061152 0.83 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21060899 0.83 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21061087 0.83 PPARA (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL23645994 0.83 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21061161 0.83 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21060897 0.83 PPARA (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21061009 0.83 PPARA (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL21060983 0.83 BID (0.43) BIDMCL1PPARABCL2L1BAK1

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
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US claimed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN claimed
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN disclosed
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 EP disclosed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 WO 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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA BID 4783/4885MCL1 3599/4885PPARA 384/4885

“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.