SCHEMBL21060908

SCHEMBL21060908

CCCCCCCCCCC(=O)c1cc(Cl)c(C(=O)OC)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.44
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
CDC25B P30305 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PAK1 Q13153 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 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
SCHEMBL21061011 1.00 ALOX15 (0.44) ALOX15LMNAMAPK1SMN1; SMN2NPSR1
SCHEMBL21060890 1.00 ALOX15 (0.44) ALOX15LMNAMAPK1SMN1; SMN2NPSR1
SCHEMBL21060901 0.80 ALOX15 (0.41) ALOX15ALDH1A1MAPT
SCHEMBL21061162 0.78 GPR84 (0.47) KMT2AMAPT
SCHEMBL21060896 0.78 GPR84 (0.47) KMT2AMAPT
SCHEMBL21061015 0.78 GPR84 (0.47) KMT2AMAPT
SCHEMBL21061091 0.78 GPR84 (0.47) KMT2AMAPT
SCHEMBL21060981 0.73 MEN1 (0.40) ALOX15LMNAMAPK1SMN1; SMN2NPSR1
SCHEMBL21060987 0.73 MEN1 (0.40) ALOX15LMNAMAPK1SMN1; SMN2NPSR1
SCHEMBL21060956 0.73 MEN1 (0.40) ALOX15LMNAMAPK1SMN1; SMN2NPSR1

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 ALOX15 848/4885LMNA 4141/4885MAPK1 2388/4885

“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.