SCHEMBL22651691

SCHEMBL22651691

Cc1cccc(COC(=O)[C@@H](C)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ SLC1A5 Q15758 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL18256297 0.89 MMP13 (0.38) POLBMMP13LMNAHPGDNPSR1
SCHEMBL18248065 0.89 MMP13 (0.38) POLBMMP13LMNAHPGDNPSR1
SCHEMBL24093690 0.89 MMP13 (0.38) POLBMMP13LMNAHPGDNPSR1
SCHEMBL24093706 0.83 MMP13 (0.32) AAK1MMP13
SCHEMBL18248145 0.81 MMP13 (0.39) POLBMMP13LMNAHPGDNPSR1
SCHEMBL23269885 0.81 MMP13 (0.39) POLBMMP13LMNAHPGDNPSR1
SCHEMBL18248147 0.81 MMP13 (0.39) POLBMMP13LMNAHPGDNPSR1
SCHEMBL19088615 0.80 — —
SCHEMBL22502801 0.79 CTSK (0.38) POLBAAK1MMP13HPGDNPSR1
SCHEMBL24093764 0.79 MMP13 (0.38) POLBBACE1MMP13MEN1KMT2A

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-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 — — 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-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP POLB 3257/4885MMP2 829/4885MMP9 434/4885

“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