SCHEMBL630737

SCHEMBL630737

Cc1cc(C)c(C=C2N=C(c3cc4c(OC(=O)OC(C)(C)C)cccc4[nH]3)C=C2OC(C)C)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.31
ASPH Q12797 2/20 0.31
EZH2 Q15910 1/20 0.31
BCL2 P10415 1/20 0.30
ADORA1 P30542 1/20 0.30
MCL1 Q07820 1/20 0.30
BCL2A1 Q16548 1/20 0.30
BCL2L2 Q92843 1/20 0.30
BAD Q92934 1/20 0.30
BCL2L10 Q9HD36 1/20 0.30

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
SCHEMBL630736 1.00 BCL2L1 (0.31) BCL2L1ASPHEZH2BCL2ADORA1
SCHEMBL631874 0.91 RET (0.34) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL631875 0.91 RET (0.34) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL631427 0.82 BCL2L1 (0.33) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL631428 0.82 BCL2L1 (0.33) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL14263344 0.78 RET (0.32) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630929 0.77 BCL2L1 (0.37) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630928 0.77 BCL2L1 (0.37) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL13369281 0.76
SCHEMBL631008 0.73 ITK (0.34) BCL2L1ASPHBCL2ADORA1MCL1

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
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP claimed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP disclosed
EP-1853255-A4 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP disclosed
EP-1853255-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS Gemin X Biotechnologies Inc. (CA) 2007-11-14 EP disclosed
WO-2006089397-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-08-31 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-20080318903-A1 METHODS FOR TREATING CANCER HCCS, EIF2AK2, ZC3HAV1 BCL2L1 662/4885ASPH 503/4885EZH2 993/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA BCL2L1 709/4885ASPH 850/4885EZH2 1805/4885

“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.