SCHEMBL20047166

SCHEMBL20047166

Cc1cc(C)c(S(=O)(=O)N2CCc3cc(-c4ccc5ncsc5c4)ccc3C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
AKR1C3 P42330 1/20 0.37
IKBKB O14920 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PAX8 Q06710 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHUK O15111 1/20 0.37
DYRK1A Q13627 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20047025 0.92 CHRM5 (0.38) OPRK1CHRM5CHRM1MEN1KMT2A
SCHEMBL20047174 0.80 L3MBTL1 (0.46) OPRK1L3MBTL1NPSR1CHRM5CHRM1
SCHEMBL20047177 0.79 L3MBTL1 (0.46) OPRK1L3MBTL1NPSR1CHRM5CHRM1
SCHEMBL22484651 0.79 L3MBTL1 (0.53) OPRK1L3MBTL1NPSR1CHRM5CHRM1
SCHEMBL20047168 0.79 OPRK1 (0.53) OPRK1L3MBTL1NPSR1MEN1KMT2A
SCHEMBL20047017 0.78 NPSR1 (0.47) OPRK1L3MBTL1NPSR1CHRM5CHRM1
SCHEMBL20047231 0.78 AKR1C3 (0.47) OPRK1L3MBTL1NPSR1CHRM5CHRM1
SCHEMBL20047016 0.78 L3MBTL1 (0.46) OPRK1L3MBTL1NPSR1CHRM5CHRM1
SCHEMBL20047026 0.77 GAA (0.47) OPRK1L3MBTL1NPSR1MEN1KMT2A
SCHEMBL20047173 0.77 PKM (0.53) OPRK1L3MBTL1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2020-10-01 US disclosed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 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-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER NR1H2, NR1H3, PPARD OPRK1 746/4885L3MBTL1 1781/4885NPSR1 1287/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD OPRK1 746/4885L3MBTL1 1781/4885NPSR1 1287/4885

“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.