SCHEMBL18256552

SCHEMBL18256552

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ REN P00797 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTSL P07711 1/20 0.35

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
SCHEMBL18248115 1.00 ITGB3 (0.40) ITGB3ITGA2BRENP2RX7ABCB1
SCHEMBL21447959 0.91 POLB (0.37) MEN1KMT2ARAB9ANPC1HDAC3
SCHEMBL18248108 0.91 ALDH1A1 (0.41) ITGB3ITGA2BRENP2RX7ABCB1
SCHEMBL18256484 0.91 ALDH1A1 (0.41) ITGB3ITGA2BRENP2RX7ABCB1
SCHEMBL18256353 0.85 REN (0.41) RENABCB1POLBCTSLCTSB
SCHEMBL18248000 0.85 REN (0.41) RENABCB1POLBCTSLCTSB
SCHEMBL23269885 0.84 MMP13 (0.39) RENABCB1ALDH1A1LMNAMMP13
SCHEMBL21447947 0.84 CTSK (0.46) RENMMP13SYKL3MBTL1CTSL
SCHEMBL18248083 0.84 CTSK (0.46) RENMMP13SYKL3MBTL1CTSL
SCHEMBL21447763 0.84 CTSK (0.46) RENMMP13SYKL3MBTL1CTSL

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
EP-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 — — 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-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 (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-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ITGB3 4687/4885ITGA2B 4797/4885REN 4019/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 ITGB3 3811/4885ITGA2B 2176/4885REN 2157/4885
US-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP ITGB3 4687/4885ITGA2B 4797/4885REN 4019/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ITGB3 4687/4885ITGA2B 4797/4885REN 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.

Send feedback