SCHEMBL1120907

SCHEMBL1120907

CS(=O)(=O)Nc1ccccc1N(CCO)CCOc1ccc2c(CC(=O)O)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
MCL1 Q07820 10/20 0.40
NR3C1 P04150 4/20 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
SCHEMBL1120902 0.92 NR3C1 (0.42) MCL1NR3C1
SCHEMBL1120793 0.90 NR3C1 (0.39) MCL1NR3C1
SCHEMBL1120832 0.88 MCL1 (0.40) MCL1NR3C1
SCHEMBL1120786 0.85 NR3C1 (0.45) MCL1NR3C1
SCHEMBL1120796 0.83 NR3C1 (0.43) MCL1NR3C1
SCHEMBL1120828 0.83 NR3C1 (0.41) MCL1NR3C1
SCHEMBL4513404 0.83 NR3C1 (0.39) ESR1ESR2NR3C1
SCHEMBL1120843 0.83 GPR17 (0.42) MCL1NR3C1
Hydrochloric Acid SCHEMBL1120842 0.83 NR3C1 (0.43) MCL1NR3C1
SCHEMBL4484186 0.81 NR3C1 (0.42) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP claimed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP claimed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US claimed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US claimed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP claimed
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 ESR1 471/4885ESR2 459/4885MCL1 1660/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R ESR1 896/4885ESR2 904/4885MCL1 4175/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 ESR1 1131/4885ESR2 628/4885MCL1 4013/4885

“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.