SCHEMBL20047231

SCHEMBL20047231

Cc1cc(C)c(S(=O)(=O)N2CCc3cc(-c4ccc(C#N)cc4)ccc3C2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
AKR1C1 Q04828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRK1 P41145 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B3 P37058 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL20047021 0.91 AKR1C3 (0.45) AKR1C3AKR1C1L3MBTL1DRD2HTR2A
SCHEMBL20047232 0.90 AKR1C3 (0.49) AKR1C3AKR1C1L3MBTL1NPSR1OPRK1
SCHEMBL20047168 0.85 OPRK1 (0.53) AKR1C3L3MBTL1NPSR1OPRK1MEN1
SCHEMBL20047016 0.84 L3MBTL1 (0.46) AKR1C3L3MBTL1NPSR1OPRK1MEN1
SCHEMBL20047174 0.84 L3MBTL1 (0.46) AKR1C3L3MBTL1NPSR1OPRK1MEN1
SCHEMBL20047173 0.83 PKM (0.53) AKR1C3L3MBTL1NPSR1OPRK1MEN1
SCHEMBL20047230 0.83 L3MBTL1 (0.47) AKR1C3AKR1C1L3MBTL1NPSR1OPRK1
SCHEMBL22484651 0.83 L3MBTL1 (0.53) AKR1C3L3MBTL1NPSR1OPRK1MEN1
SCHEMBL20047170 0.82 HDAC6 (0.49) AKR1C3L3MBTL1NPSR1OPRK1MEN1
SCHEMBL20047031 0.82 AKR1C3 (0.48) AKR1C3AKR1C1L3MBTL1OPRK1MEN1

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-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 AKR1C3 1019/4885AKR1C1 919/4885L3MBTL1 1781/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD AKR1C3 1019/4885AKR1C1 919/4885L3MBTL1 1781/4885

“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.