SCHEMBL1813191

SCHEMBL1813191

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM1A O60341 1/20 0.51
MAOB P27338 1/20 0.51
REN P00797 1/20 0.48
AKT1 P31749 3/20 0.46
DRD2 P14416 2/20 0.46
KCNA3 P22001 1/20 0.45
BTK Q06187 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL6646737 0.85 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL31352204 0.84 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL21071384 0.84 KDM1A (0.57) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL31520824 0.84 KDM1A (0.57) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL6863653 0.84 KDM1A (0.57) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL3206911 0.83 KMT2A (0.54) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL3206908 0.83 KMT2A (0.54) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL6424355 0.83 KMT2A (0.51) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL25033862 0.82 KMT2A (0.53) KMT2AL3MBTL1KDM1AMAOBREN
SCHEMBL31716021 0.82 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBREN

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-9174982-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-11-03 US disclosed
US-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. 2015-06-11 US disclosed
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 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-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 KMT2A 4097/4885L3MBTL1 1112/4885KDM1A 4032/4885
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 KMT2A 4496/4885L3MBTL1 1151/4885KDM1A 4257/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885L3MBTL1 1113/4885KDM1A 4155/4885

“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.