SCHEMBL1679385

SCHEMBL1679385

CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc4c(NS(=O)(=O)c5ccc(NC(CCN6CCOCC6)CSc6ccccc6)c([N+](=O)[O-])c5)ncnc4c3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 18/20 1.00
BCL2L1 Q07817 16/20 1.00
BCL2L2 Q92843 6/20 0.85
BAD Q92934 2/20 0.65
BCL2L11 O43521 1/20 0.63
CYP2C9 P11712 1/20 0.63
MCL1 Q07820 1/20 0.63
ASPH Q12797 1/20 0.63

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
SCHEMBL1679380 1.00 BCL2 (1.00) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL19504011 0.96 BCL2 (0.93) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL19503974 0.96 BCL2 (0.92) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL10078937 0.92 BCL2 (0.86) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1111915 0.92 BCL2 (1.00) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1111911 0.92 BCL2 (1.00) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1111891 0.92 BCL2 (0.85) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1111895 0.92 BCL2 (0.85) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1678097 0.92 BCL2 (0.84) BCL2BCL2L1BCL2L2BADBCL2L11
SCHEMBL1678093 0.92 BCL2 (0.84) BCL2BCL2L1BCL2L2BADBCL2L11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US 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 (1 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 BCL2 3/4885BCL2L1 13/4885BCL2L2 22/4885

“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.