SCHEMBL21060977

SCHEMBL21060977

CCCCCCCCCC(=O)c1c[nH]c(C(=O)OC)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PAK1 Q13153 1/20 0.40
ALOX15 P16050 4/20 0.39
CDC25B P30305 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 2/20 0.38
HTT P42858 2/20 0.38
THRA P10827 1/20 0.38
HSD17B3 P37058 5/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL21060967 1.00 MEN1 (0.40) MEN1KMT2APAK1ALOX15CDC25B
SCHEMBL21060956 1.00 MEN1 (0.40) MEN1KMT2APAK1ALOX15CDC25B
SCHEMBL21060934 1.00 MEN1 (0.40) MEN1KMT2APAK1ALOX15CDC25B
SCHEMBL21060981 1.00 MEN1 (0.40) MEN1KMT2APAK1ALOX15CDC25B
SCHEMBL21060987 1.00 MEN1 (0.40) MEN1KMT2APAK1ALOX15CDC25B
SCHEMBL21060959 0.85 GABRA1 (0.41) MEN1KMT2AALOX15PTPN1GABRA1
SCHEMBL21061090 0.84 CDC25B (0.39) MEN1KMT2ACDC25BPTPN2PTPN1
SCHEMBL21060930 0.80 LMNA (0.44) MEN1KMT2ALMNANPSR1HTT
SCHEMBL21060955 0.78 PPARA (0.38) MEN1KMT2ALMNASMN1; SMN2THRB
SCHEMBL21061141 0.78 PPARA (0.38) MEN1KMT2ALMNASMN1; SMN2THRB

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 4611/4885KMT2A 3769/4885PAK1 250/4885

“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.