SCHEMBL4158940

SCHEMBL4158940

CN(C)S(=O)(=O)c1ccccc1C=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
SLC6A2 P23975 4/20 0.42
NFKB1 P19838 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 3/20 0.42
RET P07949 3/20 0.42
ADRB2 P07550 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
ADRB1 P08588 2/20 0.42
HTR1A P08908 2/20 0.42
CHRM5 P08912 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 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
SCHEMBL4159212 0.85 NR3C1 (0.42) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4170326 0.81 NR3C2 (0.43) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4164510 0.81 NR3C1 (0.46) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4172411 0.81 MIF (0.46) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4170930 0.80 NR3C2 (0.46) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4163517 0.80 TSHR (0.40) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4157513 0.75 CA12 (0.45) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4157532 0.74 SLC6A2 (0.47) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL4161563 0.74 AR (0.58) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL11866703 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTR6MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (2 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885SMN1; SMN2 4708/4885NR3C1 3/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ALDH1A1 1728/4885SMN1; SMN2 4722/4885NR3C1 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.