SCHEMBL2386715

SCHEMBL2386715

CCOC(=O)c1ccc(N2C[C@H]3CN(C(=O)C45CC6CC(CC(C6)C4)C5)C[C@H]32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 4/20 0.41
GRM1 Q13255 5/20 0.40
GRM5 P41594 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL11973294 1.00 HSP90AA1 (0.45) HSP90AA1HPGDMAPK1RECQLCYP3A4
SCHEMBL2386278 0.83 SRD5A2 (0.50) CYP3A4CYP2D6HTTGRM1GRM5
SCHEMBL15876506 0.83 SRD5A2 (0.50) CYP3A4CYP2D6HTTGRM1GRM5
SCHEMBL2385947 0.82 HTT (0.48) HSP90AA1HPGDMAPK1CYP3A4CYP2C9
SCHEMBL2390136 0.79 ALDH1A1 (0.62) HSP90AA1HPGDMAPK1RECQLCYP3A4
SCHEMBL2387399 0.78 HSP90AA1 (0.46) HSP90AA1HPGDMAPK1RECQLCYP3A4
SCHEMBL2385932 0.76 HSP90AA1 (0.43) HSP90AA1HPGDMAPK1RECQLCYP3A4
SCHEMBL2386803 0.72 HPGD (0.49) HSP90AA1HPGDMAPK1CYP3A4HTT
SCHEMBL14892773 0.71 TP53 (0.43) HSP90AA1HPGDRECQLHTTALDH1A1
SCHEMBL11381594 0.70 HTT (0.59) HSP90AA1HPGDMAPK1CYP3A4HTT

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
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-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 (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-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.