Sugi Predict

Sugi Predict / Compounds / (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)

(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)

(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

Cc1cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 18/20 1.00
▸ BCL2 P10415 14/20 1.00
▸ MCL1 Q07820 14/20 1.00
▸ BCL2A1 Q16548 11/20 1.00
▸ BAK1 Q16611 3/20 1.00
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 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
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 1.00 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 1.00 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 1.00 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 1.00 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) SCHEMBL29378446 1.00 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 1.00 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL19419614 0.98 BCL2L1 (0.96) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL14922147 0.98 BCL2L1 (0.96) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL10112880 0.96 BCL2L1 (0.92) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL25100354 0.95 BCL2L1 (0.90) 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.