SCHEMBL21060971

SCHEMBL21060971

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.48
PLA2G2A P14555 1/20 0.48
MMP2 P08253 1/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
ESR1 P03372 3/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PLA2G4B P0C869 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL21061135 0.92 MEN1 (0.48) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL23645981 0.89 PLA2G2A (0.50) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL21060871 0.85 PLA2G2A (0.51) PLA2G2ATSHRALDH1A1TP53PLA2G4B
SCHEMBL21061098 0.83 PLA2G2A (0.45) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL21061003 0.82 GPR84 (0.42) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL21061002 0.82 GPR84 (0.42) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL21060929 0.81 PLA2G2A (0.62) PLA2G2ATSHRTP53PLA2G4B
SCHEMBL21061124 0.81 GPR84 (0.44) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL21061001 0.81 MEN1 (0.38) GPR84PLA2G2AMMP2MMP1MMP9
SCHEMBL21061030 0.78 POLB (0.47) GPR84PLA2G2AMMP1MMP9MMP12

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 6 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
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 GPR84 4381/4885PLA2G2A 4050/4885MMP2 1628/4885

“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.