SCHEMBL6318882

SCHEMBL6318882

CC(C)(C)OC(=O)C(CI)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
CTSK P43235 9/20 0.55
CTSS P25774 6/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 3/20 0.54
PPARA Q07869 1/20 0.52
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KYNU Q16719 1/20 0.49

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
SCHEMBL18256464 1.00 SYK (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL2620361 0.90 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL7497045 0.90 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL7375534 0.90 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL1733075 0.90 PPARA (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL1731144 0.90 PPARA (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL5356265 0.90 PPARA (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL18354600 0.89 SYK (0.55) SYKCTSKCTSSCTSLCTSB
SCHEMBL18354663 0.89 SYK (0.55) SYKCTSKCTSSCTSLCTSB
SCHEMBL21340066 0.88 SYK (0.66) SYKCTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
CN-107835818-A Anthelmintic depsipeptide compounds 梅里亚股份有限公司 2018-03-23 CN disclosed
US-6974879-B2 Process for preparing single enantiomers of 5,5,5,5′,5′,5′-hexafluoroleucine and protected analogs WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20050020683-A1 Process for preparing single enantiomers of 5,5,5,5',5',5'-hexafluoroleucine and protected analogs REGENTS OF THE UNIVERSITY OF MICHIGAN 2005-01-27 US disclosed
US-6787664-B2 RADICAL DEOXYGENATION OF TERTIARY HYDROXY GROUP WARNER-LAMBERT COMPANY LLC 2004-09-07 US disclosed
US-20040110982-A1 Process for preparing single enantiomers of 5,5,5,5',5',5'-hexafluoroleucine and protected analogs REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-06-10 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 (2 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-20040110982-A1 Process for preparing single enantiomers of 5,5,5,5',5',5'-hexafluoroleucine and protected analogs FABP5, PLAAT5, PLIN5 SYK 4284/4885CTSK 3077/4885CTSS 2341/4885
US-20050020683-A1 Process for preparing single enantiomers of 5,5,5,5',5',5'-hexafluoroleucine and protected analogs FABP5, PLAAT5, PLIN5 SYK 4302/4885CTSK 3389/4885CTSS 2858/4885

“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.