SCHEMBL2250646

SCHEMBL2250646

Oc1ccccc1Cc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
HSPA5 P11021 1/20 0.60
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL9776607 0.89 KEAP1 (0.86) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL30616875 0.89 KEAP1 (0.86) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL68653 0.83 KEAP1 (1.00) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL8925742 0.83 KEAP1 (0.76) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL29506902 0.83 KEAP1 (1.00) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL87816 0.82 KEAP1 (0.75) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL30335116 0.82 KEAP1 (0.75) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL920838 0.81 KEAP1 (0.96) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL28998999 0.80 KEAP1 (0.72) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL27940839 0.80 KEAP1 (0.72) KEAP1HSPA5BCL2BCL2L1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59216896-A None JP disclosed
EP-1904047-B1 APOPTOSIS PROMOTERS ABBOTT LAB (US) 2013-01-02 EP disclosed
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
US-7989656-B2 Biaryl carboxylic acid apoptosis promoters ABBOTT LABORATORIES (US) 2011-08-02 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20100234456-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
US-7750004-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-06 US disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
US-7371732-B2 Glucopyranosyloxy-substituted aromatic compounds, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-7371732-B2 Glucopyranosyloxy-substituted aromatic compounds, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-7371732-B2 Glucopyranosyloxy-substituted aromatic compounds, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
EP-1904047-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-04-02 EP disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
US-20070135392-A1 Apoptosis promoters ABBVIE INC. 2007-06-14 US disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP disclosed
WO-2007008627-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed
EP-1699807-A2 GLUCOPYRANOSYLOXY-SUBSTITUTED AROMATES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF, AND METHODS FOR PRODUCING THE SAME Boehringer Ingelheim International GmbH (DE) 2006-09-13 EP disclosed
US-20050187168-A1 Glucopyranosyloxy-substituted aromatic compounds, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-25 US disclosed
WO-2005063785-A2 GLUCOPYRANOSYLOXY-SUBSTITUTED AROMATES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF, AND METHODS FOR PRODUCING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed
JP-S59216896-A ORGANIC PHOSPHORIC ESTER AND INSECTICIDE AND ACARICIDE SANKYO CO LTD 1984-12-06 JP 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 (4 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-20050187168-A1 Glucopyranosyloxy-substituted aromatic compounds, medicaments containing such compounds, their use and process for their manufacture SLC5A2, SLC5A1, SLC2A4 KEAP1 1544/4885HSPA5 1180/4885BCL2 3236/4885
US-20100234456-A1 APOPTOSIS PROMOTERS MCL1, BAX, BCL2 KEAP1 1616/4885HSPA5 678/4885BCL2 3/4885
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 KEAP1 901/4885HSPA5 2445/4885BCL2 1462/4885
US-20070135392-A1 Apoptosis promoters MCL1, BAX, BCL2 KEAP1 1616/4885HSPA5 678/4885BCL2 3/4885

“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.