SCHEMBL21177010

SCHEMBL21177010

CCc1ccc(CCCCc2ccc3c(c2)NC(=O)CO3)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.79
NR3C2 P08235 3/20 0.56
MMP12 P39900 1/20 0.55
PKM P14618 1/20 0.50
DRD2 P14416 6/20 0.49
DRD4 P21917 5/20 0.49
DRD3 P35462 3/20 0.49
HTR1A P08908 3/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 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
SCHEMBL11006154 0.90 PARP1 (0.70) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL11004751 0.90 PARP1 (0.70) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL21207261 0.89 PARP1 (0.74) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL532134 0.89 PARP1 (1.00) PARP1NR3C2MMP12PKMDRD2
SCHEMBL12844300 0.86 PARP1 (0.78) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL31033201 0.86 PARP1 (0.78) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL11002313 0.85 PARP1 (0.77) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL4257167 0.85 PARP1 (0.70) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL4173613 0.85 PARP1 (0.63) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL9244955 0.83 PARP1 (0.65) PARP1NR3C2MMP12DRD2DRD4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US claimed
US-12545653-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. (US) 2026-02-10 US disclosed
CN-114409680-B PPAR agonists and uses thereof 上海怡立舍生物技术有限公司 2023-11-21 CN disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
CN-114409680-A PPAR agonist and application thereof 上海怡立舍生物技术有限公司 2022-04-29 CN disclosed
CN-108250058-B PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases 上海怡立舍生物技术有限公司 2022-02-11 CN disclosed
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US disclosed
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US disclosed
WO-2019141229-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF 上海怡立舍生物技术有限公司 2019-07-25 WO disclosed
WO-2019141229-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF 上海怡立舍生物技术有限公司 2019-07-25 WO disclosed
CN-108250058-A PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases 上海怡立舍生物技术有限公司 2018-07-06 CN 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 (4 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-12545653-B2 Compound as PPAR agonist and application thereof PPARA, PPARD, PPARG PARP1 2679/4885NR3C2 236/4885MMP12 2439/4885
US-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD PARP1 1957/4885NR3C2 711/4885MMP12 905/4885
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD PARP1 1957/4885NR3C2 711/4885MMP12 905/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD PARP1 1957/4885NR3C2 711/4885MMP12 905/4885

“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.