SCHEMBL1396433

SCHEMBL1396433

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LTA4H P09960 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ ELANE P08246 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ KYNU Q16719 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL1484127 0.81 L3MBTL1 (0.40) ATML3MBTL1ELANEKMT2ASMN1; SMN2
SCHEMBL9929864 0.74 GRIK1 (0.42) GRIK1CASP1CYP1A2
SCHEMBL1396544 0.73 ELANE (0.37) ATML3MBTL1LTA4HELANEKMT2A
SCHEMBL9942127 0.72 GRIK1 (0.38) GRIK1LTA4HCASP1SMN1; SMN2KYNU
SCHEMBL7782886 0.70 ATM (0.45) ATML3MBTL1LTA4HELANEKMT2A
SCHEMBL7782885 0.70 ATM (0.45) ATML3MBTL1LTA4HELANEKMT2A
SCHEMBL28333235 0.65 LTA4H (0.41) ATML3MBTL1LTA4HKMT2ASMN1; SMN2
SCHEMBL27315409 0.65 LTA4H (0.47) LTA4HKMT2ASMN1; SMN2MMP2
SCHEMBL1396437 0.64 CASP1 (0.34) CASP1KYNUCYP1A2KIF11
SCHEMBL1434037 0.63 LTA4H (0.45) ATML3MBTL1LTA4HELANEKMT2A

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 10 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-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 — — 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 (4 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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 GRIK1 1566/4885ATM 1530/4885L3MBTL1 2759/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 GRIK1 1814/4885ATM 2443/4885L3MBTL1 1228/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 GRIK1 1370/4885ATM 1639/4885L3MBTL1 2466/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 GRIK1 1370/4885ATM 1639/4885L3MBTL1 2466/4885

“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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