SCHEMBL2235758

SCHEMBL2235758

CC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PARP10 Q53GL7 9/20 0.39
PARP4 Q9UKK3 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 2/20 0.37
PARP15 Q460N3 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP14 Q460N5 1/20 0.37

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
SCHEMBL1082657 0.86 SRD5A2 (0.45) EPHX2NR1H4CA1CA2KMT2A
SCHEMBL1017923 0.85 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1018742 0.81 CA12 (0.47) CA1CA2KMT2AALDH1A1MEN1
SCHEMBL2441357 0.79 PARP10 (0.48) EPHX2NR1H4PARP10PARP4CA1
SCHEMBL4192095 0.79 RAB9A (0.46) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12970762 0.78 PARP10 (0.41) EPHX2NR1H4PARP10PARP4CA1
SCHEMBL6276455 0.77 TSHR (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17129152 0.76 ESR1 (0.37) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3047470 0.76 DUT (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3868128 0.75 MGLL (0.39) CA1CA2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US disclosed
US-8802695-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-12 US disclosed
EP-2531501-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-13 US disclosed
EP-2531501-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-12-12 EP disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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 (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-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD EPHX2 3788/4885NR1H4 3803/4885PARP10 630/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD EPHX2 3788/4885NR1H4 3803/4885PARP10 630/4885

“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.