SCHEMBL24298092

SCHEMBL24298092

C[C@@H](OC(=O)[C@H](CC1CC1)N(C)C(=O)[C@@H](Cc1ccc(C2CCOCC2)cc1)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC1CC1)N(C)C(=O)[C@@H](CCc1ccc(C2CCOCC2)cc1)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ REN P00797 1/20 0.30

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
SCHEMBL19245151 1.00 ITGB3 (0.32) ITGB3ITGA2BREN
SCHEMBL24297674 0.98 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL19088497 0.98 ITGB3 (0.34) ITGB3ITGA2BREN
SCHEMBL19088492 0.96 ITGB3 (0.34) ITGB3ITGA2BREN
SCHEMBL21266689 0.96 CTSL (0.31) ITGB3ITGA2BREN
SCHEMBL22651582 0.95 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL21266699 0.95 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL22651640 0.94 CTSK (0.35) ITGB3ITGA2BREN
SCHEMBL19245087 0.92 REN (0.32) REN
SCHEMBL24297649 0.92 ITGB3 (0.35) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 — — US 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-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ITGB3 4674/4885ITGA2B 4763/4885REN 3632/4885

“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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