SCHEMBL21060974

SCHEMBL21060974

CCCCCCCCCCCCCc1c[nH]c(C(=O)Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARA Q07869 3/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 2/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36

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
SCHEMBL21061176 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21061087 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21060894 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21060999 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21060975 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21061104 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21060897 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21061009 0.86 PPARA (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL21060861 0.82 PPARA (0.41) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL21060962 0.81 KDM4E (0.43) CYP3A4MAPTALOX15HTTPPARA

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 4 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 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 MEN1 4611/4885TP53 3446/4885CYP3A4 1354/4885

“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.