SCHEMBL18256484

SCHEMBL18256484

C[C@@H](OC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ REN P00797 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ MME P08473 2/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL18248108 1.00 ALDH1A1 (0.41) ALDH1A1MAPTRENITGB3ITGA2B
SCHEMBL18256448 0.92 ALDH1A1 (0.46) ALDH1A1MAPTRENITGB3ITGA2B
SCHEMBL23279537 0.92 ALDH1A1 (0.46) ALDH1A1MAPTRENITGB3ITGA2B
SCHEMBL21447888 0.91 MMP12 (0.39) RENCTSSCTSKMME
SCHEMBL18256552 0.91 ITGB3 (0.40) ALDH1A1RENITGB3ITGA2BCTSS
SCHEMBL18248115 0.91 ITGB3 (0.40) ALDH1A1RENITGB3ITGA2BCTSS
SCHEMBL21447947 0.85 CTSK (0.46) MAPTRENCTSSCTSK
SCHEMBL18248083 0.85 CTSK (0.46) MAPTRENCTSSCTSK
SCHEMBL21447763 0.85 CTSK (0.46) MAPTRENCTSSCTSK
SCHEMBL23269885 0.85 MMP13 (0.39) ALDH1A1MAPTRENCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 — — US disclosed
EP-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 — — EP disclosed
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 — — US disclosed
US-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 — — US disclosed
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 — — US disclosed
US-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-01-26 — — US disclosed
WO-2016187534-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2016-11-24 — — 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 (5 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-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 3037/4885MAPT 4110/4885REN 4019/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 ALDH1A1 3183/4885MAPT 4752/4885REN 2157/4885
US-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP ALDH1A1 3037/4885MAPT 4110/4885REN 4019/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 ALDH1A1 3183/4885MAPT 4752/4885REN 2157/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 3037/4885MAPT 4110/4885REN 4019/4885

“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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