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SCHEMBL2757178

SCHEMBL2757178

Cc1cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1C

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 15/20 0.83
▸ BCL2 P10415 14/20 0.83
▸ MCL1 Q07820 14/20 0.83
▸ BCL2A1 Q16548 11/20 0.83
▸ BAK1 Q16611 3/20 0.83
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2757181 1.00 BCL2L1 (0.83) BCL2L1BCL2MCL1BCL2A1BAK1
1,1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((R)-2-Phenylpropyl)-N5'-((R)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL29378446 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
(S)-1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((S)-2-Phenylpropyl)-N5'-((S)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL2757198 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
(S)-1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((S)-2-Phenylpropyl)-N5'-((S)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL2757182 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
(S)-1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((S)-2-Phenylpropyl)-N5'-((S)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL3265587 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
1,1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((R)-2-Phenylpropyl)-N5'-((R)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL29637073 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
(S)-1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((S)-2-Phenylpropyl)-N5'-((S)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL2757199 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
1,1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-N5-((R)-2-Phenylpropyl)-N5'-((R)-2-Phenylpropyl)-2,2'-Binaphthyl-5,5'-Dicarboxamide (Atropisomeric Mix) SCHEMBL18213906 0.91 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL10112880 0.89 BCL2L1 (0.92) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL19419614 0.89 BCL2L1 (0.96) BCL2L1BCL2MCL1BCL2A1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487131-B2 Optically pure apogossypol derivative as pan-active inhibitor of anti-apoptotic B-cell lymphoma/leukemia-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-07-16 — — US disclosed
US-8487131-B2 Optically pure apogossypol derivative as pan-active inhibitor of anti-apoptotic B-cell lymphoma/leukemia-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-07-16 — — US disclosed
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 — — US disclosed
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 — — 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-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) BCL3, BCL9, BCL2 BCL2L1 6/4885BCL2 3/4885MCL1 5/4885

“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.