SCHEMBL4513404

SCHEMBL4513404

CS(=O)(=O)Nc1ccccc1N(CCO)CCOc1ccc2c(CC(=O)O)c(-c3ccccc3)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.39
PGR P06401 2/20 0.36
NR3C2 P08235 2/20 0.36
AR P10275 2/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL4487265 0.92 NR3C1 (0.41) NR3C1PGRNR3C2AR
SCHEMBL4477332 0.88 NR3C1 (0.36) NR3C1PGRNR3C2ARESR1
SCHEMBL4484191 0.85 NR3C1 (0.37) NR3C1PGRNR3C2ARESR1
SCHEMBL1120907 0.83 ESR1 (0.41) NR3C1ESR1ESR2
SCHEMBL1120902 0.81 NR3C1 (0.42) NR3C1PGRNR3C2AR
SCHEMBL4484186 0.81 NR3C1 (0.42) NR3C1PGRNR3C2AR
SCHEMBL1120793 0.79 NR3C1 (0.39) NR3C1PGRNR3C2AR
SCHEMBL1120832 0.78 MCL1 (0.40) NR3C1
SCHEMBL1120786 0.75 NR3C1 (0.45) NR3C1PGRNR3C2AR
SCHEMBL4513399 0.75 ADRB3 (0.57) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 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 NR3C1 498/4885PGR 2007/4885NR3C2 322/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R NR3C1 230/4885PGR 885/4885NR3C2 122/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 NR3C1 301/4885PGR 1513/4885NR3C2 161/4885

“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.