SCHEMBL2387399

SCHEMBL2387399

CCOC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
RECQL P46063 1/20 0.45
HTT P42858 4/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 4/20 0.40
EPHX2 P34913 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.38
FDFT1 P37268 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL2385932 0.91 HSP90AA1 (0.43) HSP90AA1HPGDMAPK1RECQLHTT
SCHEMBL8220205 0.83 HTT (0.48) HSP90AA1HPGDMAPK1HTTALDH1A1
SCHEMBL2388459 0.83 SRD5A2 (0.46) HTTCNR2ALDH1A1EPHX2NPSR1
SCHEMBL2388039 0.81 HPGD (0.45) HSP90AA1HPGDMAPK1RECQLHTT
SCHEMBL2405724 0.81 HPGD (0.45) HSP90AA1HPGDMAPK1RECQLHTT
SCHEMBL2387458 0.78 GPR119 (0.47) HSP90AA1HPGDMAPK1HTTALDH1A1
SCHEMBL17869737 0.78 GPR119 (0.47) HSP90AA1HPGDMAPK1HTTALDH1A1
SCHEMBL2386715 0.78 HSP90AA1 (0.45) HSP90AA1HPGDMAPK1RECQLHTT
SCHEMBL11973294 0.78 HSP90AA1 (0.45) HSP90AA1HPGDMAPK1RECQLHTT
SCHEMBL2390136 0.76 ALDH1A1 (0.62) HSP90AA1HPGDMAPK1RECQLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 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
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 HSP90AA1 136/4885HPGD 1466/4885MAPK1 2721/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HSP90AA1 136/4885HPGD 1466/4885MAPK1 2721/4885

“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.