SCHEMBL1396553

SCHEMBL1396553

CC(C)(C)C=C(C(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ BCL2 P10415 1/20 0.41
▸ CTSK P43235 6/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ PPARA Q07869 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL9930115 0.80 MMP13 (0.44) MMP13ABCB1BCL2CTSKCTSS
SCHEMBL9929780 0.73 CTSK (0.39) CTSKCTSSCTSLCTSBPPARA
SCHEMBL9929801 0.71 CTSK (0.39) MMP13CTSKCTSSCTSLCTSB
SCHEMBL9930114 0.70 CTSS (0.36) MMP13ABCB1BCL2CTSKCTSS
SCHEMBL9929837 0.70 CTSK (0.40) MMP13CTSKCTSSCTSLCTSB
SCHEMBL9940063 0.70 CTSK (0.38) CTSKCTSSCTSLCTSBCA2
SCHEMBL9929726 0.69 CTSK (0.41) MMP13CTSKCTSSCTSLCTSB
SCHEMBL15083140 0.69 PPARA (0.49) CTSKCTSSCTSLCTSBPPARA
SCHEMBL5033775 0.69 PPARA (0.58) CTSKCTSSCTSLCTSBPPARA
SCHEMBL1093029 0.69 PPARA (0.58) CTSKCTSSCTSLCTSBPPARA

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 12 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
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 — — US disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 — — US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 — — US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 — — US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 — — US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 — — US disclosed
EP-2288615-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF New World Laboratories Inc. (CA) 2011-03-02 — — EP disclosed
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 — — WO disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 — — WO 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 (5 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-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof CASP3, CASP1, HTRA2 MMP13 127/4885ABCB1 1386/4885BCL2 27/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 MMP13 127/4885ABCB1 1386/4885BCL2 27/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 MMP13 122/4885ABCB1 1003/4885BCL2 53/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 MMP13 100/4885ABCB1 1125/4885BCL2 24/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 MMP13 100/4885ABCB1 1125/4885BCL2 24/4885

“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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