SCHEMBL21060929

SCHEMBL21060929

CCCCCCCCCCCCOc1c[nH]c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.62
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 7/20 0.53
RARB P10826 3/20 0.50
PLA2G4A P47712 1/20 0.48
BLM P54132 1/20 0.48
PTPN11 Q06124 2/20 0.47

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
SCHEMBL21060871 0.85 PLA2G2A (0.51) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL23645981 0.84 PLA2G2A (0.50) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL21060971 0.81 GPR84 (0.48) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL21061098 0.78 PLA2G2A (0.45) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL21061135 0.77 MEN1 (0.48) PLA2G2ATP53TSHR
SCHEMBL11050536 0.77 PLA2G2A (1.00) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL13836893 0.77 PLA2G2A (1.00) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL25327655 0.77 PLA2G2A (1.00) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL15955753 0.77 PLA2G2A (0.93) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL1768821 0.77 PLA2G2A (0.93) PLA2G2ATP53TSHRPLA2G4BRARB

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 8 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
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 EP claimed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 WO 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 PLA2G2A 4050/4885TP53 3446/4885TSHR 4181/4885

“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.