SCHEMBL8911125

SCHEMBL8911125

CN(C(=O)OC(C)(C)C)C(Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ MME P08473 3/20 0.46
▸ ACE P12821 2/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ SRR Q9GZT4 2/20 0.46
▸ PSAT1 Q9Y617 2/20 0.46
▸ PPARG P37231 6/20 0.45
▸ PPARA Q07869 5/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ REN P00797 1/20 0.44
▸ MMP13 P45452 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42

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
SCHEMBL29624556 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCTSSCTSKMME
SCHEMBL18248052 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCTSSCTSKMME
SCHEMBL28518117 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCTSSCTSKMME
SCHEMBL1401223 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCTSSCTSKMME
SCHEMBL2476924 0.92 MMP13 (0.46) ALDH1A1MAPTCTSSCTSKACE
SCHEMBL1401042 0.92 MMP13 (0.46) ALDH1A1MAPTCTSSCTSKACE
SCHEMBL65502 0.92 MMP13 (0.46) ALDH1A1MAPTCTSSCTSKACE
SCHEMBL28520356 0.92 MMP13 (0.54) PPARGPPARAMMP13ITGB3ITGA2B
SCHEMBL28520354 0.92 MMP13 (0.54) PPARGPPARAMMP13ITGB3ITGA2B
SCHEMBL31407294 0.89 CTSB (0.50) ALDH1A1MAPTCTSSCTSKMME

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
CN-112300247-B Teixobactin analogue and application thereof 广东东阳光药业有限公司 2022-12-27 — — CN disclosed
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 — — CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 — — CN disclosed
US-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 — — US disclosed
US-20180362589-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2018-12-20 — — US disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 — — 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 (2 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-20180362589-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 3037/4885MAPT 4110/4885CTSS 245/4885
US-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP ALDH1A1 3037/4885MAPT 4110/4885CTSS 245/4885

“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.

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