SCHEMBL21060959

SCHEMBL21060959

CCCCCCCCCCCCC(=O)c1c[nH]c(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTT P42858 2/20 0.40
PLA2G4A P47712 1/20 0.40
HSD17B3 P37058 5/20 0.40
ALDH1A1 P00352 3/20 0.39
FFAR1 O14842 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL21060987 0.85 MEN1 (0.40) GABRA1GABRB2HTTHSD17B3ALDH1A1
SCHEMBL21060981 0.85 MEN1 (0.40) GABRA1GABRB2HTTHSD17B3ALDH1A1
SCHEMBL21060977 0.85 MEN1 (0.40) GABRA1GABRB2HTTHSD17B3ALDH1A1
SCHEMBL21060956 0.85 MEN1 (0.40) GABRA1GABRB2HTTHSD17B3ALDH1A1
SCHEMBL21060934 0.85 MEN1 (0.40) GABRA1GABRB2HTTHSD17B3ALDH1A1
SCHEMBL21060967 0.85 MEN1 (0.40) GABRA1GABRB2HTTHSD17B3ALDH1A1
SCHEMBL9147971 0.84 PLA2G2A (0.44) GABRA1GABRB2HTTPLA2G4AHSD17B3
SCHEMBL21060914 0.82 GABRA1 (0.41) GABRA1GABRB2HTTPLA2G4AHSD17B3
SCHEMBL21060891 0.76 BID (0.43) ALDH1A1MEN1KMT2AMAPTPPARG
SCHEMBL21061152 0.76 BID (0.43) ALDH1A1MEN1KMT2AMAPTPPARG

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 GABRA1 1884/4885GABRB2 1067/4885HTT 3847/4885

“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.