SCHEMBL3908872

SCHEMBL3908872

CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.45
▸ OPRK1 P41145 6/20 0.44
▸ LMNA P02545 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PTPN7 P35236 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ KLK5 Q9Y337 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SPPL2A Q8TCT8 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX12 P18054 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL3908876 1.00 SYK (0.45) SYKOPRK1LMNAMEN1MAPT
SCHEMBL311041 0.85 KLK5 (0.36) MAPTALDH1A1SMN1; SMN2KLK5CASP1
SCHEMBL6612201 0.82 SYK (0.49) SYKMAPTKLK5CASP1TRPM8
SCHEMBL15095154 0.82 SYK (0.58) SYKKLK5CASP1TRPM8CTSK
SCHEMBL7404713 0.82 SYK (0.53) SYKMAPTKLK5CASP1TRPM8
SCHEMBL87318 0.82 SYK (0.58) SYKKLK5CASP1TRPM8CTSK
SCHEMBL9415864 0.81 CAPN1 (0.42) CTSK
SCHEMBL7399633 0.80 SYK (0.47) SYKMAPTKLK5TRPM8PPARA
SCHEMBL27885868 0.79 SYK (0.55) SYKKLK5TRPM8CTSK
SCHEMBL27658167 0.79 SYK (0.55) SYKKLK5TRPM8CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 — — EP disclosed
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 — — US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 — — US disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 — — US disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 — — 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-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 SYK 2106/4885OPRK1 3526/4885LMNA 366/4885
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 SYK 2321/4885OPRK1 4800/4885LMNA 114/4885

“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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