SCHEMBL2388939

SCHEMBL2388939

C[C@H]1[C@@H](N(C(=O)CCc2ccccc2)C2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCCCC5)c([N+](=O)[O-])c4)cc3)CC2)C[C@@H]2C[C@@H]1C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.47
BCL2 P10415 14/20 0.47
ALB P02768 1/20 0.42
BCL2L2 Q92843 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL2388935 1.00 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2MCL1
SCHEMBL2387538 0.94 BCL2L1 (0.48) BCL2L1BCL2ALBBCL2L2
SCHEMBL2387542 0.94 BCL2L1 (0.48) BCL2L1BCL2ALBBCL2L2
SCHEMBL19424611 0.92 BCL2L1 (0.36) BCL2L1BCL2ALBBCL2L2
SCHEMBL2386759 0.92 BCL2L1 (0.49) BCL2L1BCL2ALBBCL2L2
SCHEMBL2386756 0.92 BCL2L1 (0.49) BCL2L1BCL2ALBBCL2L2
SCHEMBL2388417 0.90 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2
SCHEMBL2388421 0.90 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2
SCHEMBL19419640 0.90 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2
SCHEMBL17350552 0.90 BCL2L1 (0.47) BCL2L1BCL2ALBBCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 EP claimed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US claimed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US claimed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 US claimed
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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 (2 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885ALB 1738/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885ALB 1738/4885

“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.