SCHEMBL18774726

SCHEMBL18774726

CC(C)(C)OC(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CC(O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.40
▸ CTSK P43235 5/20 0.38
▸ REN P00797 1/20 0.38
▸ CTSL P07711 3/20 0.38
▸ CTSB P07858 3/20 0.38
▸ CTSS P25774 3/20 0.38
▸ PSMB5 P28074 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ P4HB P07237 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ ACE P12821 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
SCHEMBL7887501 0.84 ABCB1 (0.44) MMP13CTSKCTSLCTSBCTSS
SCHEMBL19015933 0.84 ABCB1 (0.44) MMP13CTSKCTSLCTSBCTSS
SCHEMBL7885855 0.72 PPARG (0.40) MMP13PPARGCA12CA1CA7
SCHEMBL7358274 0.68 CASP3 (0.52) MMP13CTSKCTSLCTSBCTSS
SCHEMBL7358261 0.68 CASP3 (0.52) MMP13CTSKCTSLCTSBCTSS
SCHEMBL7358268 0.68 CASP3 (0.52) MMP13CTSKCTSLCTSBCTSS
SCHEMBL12137049 0.68 ATM (0.61) CTSKRENCTSLCTSBCTSS
SCHEMBL2736190 0.68 ATM (0.61) CTSKRENCTSLCTSBCTSS
SCHEMBL7214816 0.68 CASP3 (0.51) MMP13CTSKCTSLCTSBCTSS
SCHEMBL354119 0.67 CAPN1 (0.43) CTSKCTSLCTSBCTSSPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — 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-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 MMP13 100/4885CTSK 83/4885REN 2881/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 MMP13 100/4885CTSK 83/4885REN 2881/4885

“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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