Sugi Predict

Sugi Predict / Compounds / SCHEMBL2622247

SCHEMBL2622247

SCHEMBL2622247

Cc1cc2c(C(C)C)c(O)c(O)c(C(S)S)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(S)S)c2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.63
▸ MCL1 Q07820 10/20 0.61
▸ BCL2 P10415 9/20 0.61
▸ AKR1B1 P15121 8/20 0.61
▸ BCL2L1 Q07817 3/20 0.61
▸ LDHA P00338 3/20 0.61
▸ LDHB P07195 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ USP2 O75604 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ THRB P10828 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ ALOX12 P18054 2/20 0.61
▸ MAPK1 P28482 2/20 0.61

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
SCHEMBL10820453 0.78 ALB (1.00) ALBMCL1BCL2AKR1B1BCL2L1
SCHEMBL2622249 0.78 AKR1B1 (0.72) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL9738017 0.76 MCL1 (1.00) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL3939 0.76 MCL1 (1.00) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL30260519 0.76 MCL1 (1.00) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL29355719 0.76 MCL1 (1.00) ALBMCL1BCL2AKR1B1BCL2L1
SCHEMBL2622240 0.76 MCL1 (0.74) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL29798874 0.76 MCL1 (1.00) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL23014699 0.75 MCL1 (0.97) ALBMCL1BCL2AKR1B1BCL2L1
Gossypol SCHEMBL28855396 0.75 MCL1 (0.97) ALBMCL1BCL2AKR1B1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 — — US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 — — US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 — — US disclosed
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 — — US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 — — 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 (3 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-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 ALB 4624/4885MCL1 34/4885BCL2 1/4885
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 ALB 4693/4885MCL1 45/4885BCL2 2/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 ALB 4624/4885MCL1 34/4885BCL2 1/4885

“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.