Sugi Predict

Sugi Predict / Compounds / SCHEMBL10112880

SCHEMBL10112880

SCHEMBL10112880

Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(C)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 17/20 0.92
▸ BCL2 P10415 14/20 0.92
▸ MCL1 Q07820 14/20 0.92
▸ BCL2A1 Q16548 11/20 0.92
▸ BAK1 Q16611 3/20 0.92
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ 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) SCHEMBL29637073 0.96 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 0.96 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 0.96 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 0.96 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 0.96 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 0.96 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 0.96 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL25100354 0.95 BCL2L1 (0.90) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL14922147 0.94 BCL2L1 (0.96) BCL2L1BCL2MCL1BCL2A1BAK1
SCHEMBL19419614 0.94 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 — — US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 — — 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 BCL2L1 49/4885BCL2 30/4885MCL1 629/4885

“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.