SCHEMBL7939762

SCHEMBL7939762

CS(=O)(=O)Nc1cccc2c(C(CCC#N)c3ccc4sccc4c3)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.40
NR3C1 P04150 11/20 0.38
PGR P06401 10/20 0.38
NR3C2 P08235 10/20 0.38
AR P10275 10/20 0.38
PLA2G7 Q13093 7/20 0.35
KEAP1 Q14145 1/20 0.31

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
SCHEMBL7952737 0.89 ADRB3 (0.43) ADRB3NR3C1PGRNR3C2AR
SCHEMBL1349705 0.85 MRGPRX4 (0.31) ADRB3
SCHEMBL12397692 0.83 NR3C1 (0.42) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397801 0.82 NR3C1 (0.42) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL7950548 0.81 ADRB3 (0.40) ADRB3NR3C1PGRNR3C2AR
SCHEMBL1349571 0.80 MRGPRX4 (0.30)
SCHEMBL7950082 0.80 NR3C1 (0.42) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL7948516 0.80 NR3C1 (0.45) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL7950611 0.79 NR3C1 (0.40) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL1350041 0.79

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 ADRB3 3/4885NR3C1 2099/4885PGR 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.