SCHEMBL22651599

SCHEMBL22651599

CN(C(=O)OC(C)(C)C)[C@@H](CCC(C)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SYK P43405 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18256447 0.88 L3MBTL1 (0.44) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL24093760 0.88 L3MBTL1 (0.44) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL22502801 0.87 CTSK (0.38) L3MBTL1SYKMMP13AAK1ALDH1A1
SCHEMBL18248192 0.86 L3MBTL1 (0.41) L3MBTL1SYKMMP13AAK1ALDH1A1
SCHEMBL9514573 0.85 CTSK (0.43) L3MBTL1SYKMMP13ALDH1A1CTSL
SCHEMBL22651644 0.83 MMP13 (0.36) L3MBTL1SYKMMP13AAK1ABCB1
SCHEMBL19244966 0.83 ABCB1 (0.47) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL13519510 0.82 CTSK (0.48) L3MBTL1SYKMMP13AAK1CTSL
SCHEMBL23811003 0.82 L3MBTL1 (0.45) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL13707765 0.82 L3MBTL1 (0.42) L3MBTL1SYKMMP13ALDH1A1ABCB1

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 L3MBTL1 524/4885SYK 3404/4885MMP13 504/4885

“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