SCHEMBL2161306

SCHEMBL2161306

CS(=O)(=O)Nc1cccc2c(C(CCOS(C)(=O)=O)c3ccc(C(F)(F)F)cc3)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.42
NR3C2 P08235 11/20 0.42
PGR P06401 10/20 0.42
AR P10275 10/20 0.42
PLA2G7 Q13093 1/20 0.35
SLC6A4 P31645 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
KCNH2 Q12809 1/20 0.35
KIF11 P52732 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL12397541 0.89 NR3C1 (0.43) NR3C1NR3C2PGRARPLA2G7
SCHEMBL1423391 0.88 NR3C1 (0.46) NR3C1NR3C2PGRARPLA2G7
SCHEMBL2161713 0.86 NR3C1 (0.44) NR3C1NR3C2PGRARPLA2G7
SCHEMBL2161725 0.86 ALDH1A1 (0.34) SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL7950082 0.85 NR3C1 (0.42) NR3C1NR3C2PGRARPLA2G7
SCHEMBL1422961 0.84 NR3C1 (0.42) NR3C1NR3C2PGRARPLA2G7
SCHEMBL1422696 0.84 NR3C1 (0.42) NR3C1NR3C2PGRARPLA2G7
SCHEMBL1422988 0.84 NR3C1 (0.44) NR3C1NR3C2PGRARPLA2G7
SCHEMBL1350173 0.83 HDAC3 (0.31) SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL1422784 0.81 NR3C1 (0.42) NR3C1NR3C2PGRARPLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
WO-2009156091-A1 3-CYANOALKYL- AND 3-HYDROXYALKYLINDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 WO 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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 NR3C1 2099/4885NR3C2 735/4885PGR 4721/4885

“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.