SCHEMBL21060952

SCHEMBL21060952

CCCCCCCCCCCCc1ccc(C(=O)OCC)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
MMP2 P08253 1/20 0.48
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
GPR84 Q9NQS5 9/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 3/20 0.43
ESR1 P03372 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 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
SCHEMBL9149975 1.00 HIF1A (0.49) HIF1AEPAS1MMP2MMP1MMP9
SCHEMBL1149576 0.81 MMP1 (0.50) MMP2MMP1MMP9MMP12MAPT
SCHEMBL9147580 0.81 HIF1A (0.54) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL3282173 0.80 LMNA (0.49) MMP2MAPTHTTLMNAESR1
SCHEMBL10503868 0.80 HSD17B10 (0.46) MMP2MAPTHTTLMNAESR1
SCHEMBL10504114 0.80 CYP4F2 (0.47) MMP2MAPTHTTLMNAESR1
SCHEMBL11387829 0.78 HIF1A (0.51) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL1160497 0.78 LMNA (0.55) MMP2MAPTHTTLMNAESR1
SCHEMBL1149624 0.78 SMN1; SMN2 (0.49) MMP2MMP1MMP9MMP12MAPT
SCHEMBL5065716 0.78 LMNA (0.47) MMP2MAPTHTTLMNAESR1

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 HIF1A 1461/4885EPAS1 828/4885MMP2 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.