SCHEMBL2384452

SCHEMBL2384452

COc1cccc(OC)c1C(=O)c1sccc1-c1ccccc1C=C1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.41
▸ RORC P51449 7/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ GFER P55789 1/20 0.36
▸ RORB Q92753 2/20 0.36
▸ BCL2L1 Q07817 2/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1742829 0.70 ENPP2 (0.45) NPC1RAB9AMAPTBCL2L1BCL2
SCHEMBL11942108 0.67 SRD5A2 (0.58) SRD5A2NPC1RAB9AGAAMAPT
SCHEMBL1742861 0.66 HPGD (0.45) SRD5A2RORCNPC1RAB9AMAPT
SCHEMBL2388151 0.66 USP2 (0.40) SRD5A2RORCNPC1RAB9AMAPT
SCHEMBL2388156 0.66 USP2 (0.40) SRD5A2RORCNPC1RAB9AMAPT
SCHEMBL2388687 0.64 USP2 (0.34) SRD5A2RORCNPC1RAB9AMAPT
SCHEMBL1549482 0.64 DHODH (0.55) RORCRORBKMT2A
SCHEMBL31540409 0.64 DHODH (0.55) RORCRORBKMT2A
SCHEMBL2386869 0.63 ALDH1A1 (0.49) NPC1RAB9AMAPTKMT2A
SCHEMBL3583636 0.62 F2 (0.50) NPC1RAB9AMAPTBCL2L1BCL2

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 8 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
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 SRD5A2 3094/4885RORC 777/4885NPC1 4421/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SRD5A2 3094/4885RORC 777/4885NPC1 4421/4885

“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.

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