SCHEMBL7885855

SCHEMBL7885855

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.40
▸ NFE2L2 Q16236 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ABCB1 P08183 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL12755484 0.83 PPARG (0.43) PPARGNFE2L2LMNACA2CA9
SCHEMBL7887287 0.82 CTSB (0.42) ABCB1CA2CA9CA12CA1
SCHEMBL19015802 0.82 CTSB (0.42) ABCB1CA2CA9CA12CA1
SCHEMBL7887501 0.81 ABCB1 (0.44) PPARGABCB1CA12CA1CA7
SCHEMBL19015933 0.81 ABCB1 (0.44) PPARGABCB1CA12CA1CA7
SCHEMBL7357649 0.76 HDAC3 (0.40) CA2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7357659 0.76 HDAC3 (0.40) CA2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7357655 0.76 HDAC3 (0.40) CA2HDAC3HDAC1HDAC2HDAC8
SCHEMBL19015951 0.76 HDAC3 (0.33) PPARGABCB1CA2CA9HDAC3
SCHEMBL9961230 0.74 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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 18 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-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-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-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-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-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-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
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 — — US 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 PPARG 2226/4885NFE2L2 853/4885LMNA 581/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 PPARG 2226/4885NFE2L2 853/4885LMNA 581/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 PPARG 3979/4885NFE2L2 1024/4885LMNA 543/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 PPARG 2268/4885NFE2L2 728/4885LMNA 727/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 PPARG 2268/4885NFE2L2 728/4885LMNA 727/4885

“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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