SCHEMBL20047026

SCHEMBL20047026

Cc1cc(C)c(S(=O)(=O)N2CCc3cc(-c4cccs4)ccc3C2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AKR1C3 P42330 1/20 0.41
SRD5A1 P18405 1/20 0.41
ESR2 Q92731 2/20 0.40
ENPP1 P22413 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 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
SCHEMBL22484651 0.82 L3MBTL1 (0.53) L3MBTL1NPSR1ALDH1A1OPRK1MEN1
SCHEMBL20047170 0.81 HDAC6 (0.49) L3MBTL1NPSR1ALDH1A1OPRK1MEN1
SCHEMBL20047017 0.81 NPSR1 (0.47) GAAL3MBTL1TSHRMAPK1NPSR1
SCHEMBL20047174 0.81 L3MBTL1 (0.46) L3MBTL1NPSR1ALDH1A1OPRK1MEN1
SCHEMBL20047168 0.80 OPRK1 (0.53) L3MBTL1NPSR1OPRK1MEN1KMT2A
SCHEMBL20047167 0.79 L3MBTL1 (0.50) L3MBTL1NPSR1ALDH1A1OPRK1MEN1
SCHEMBL20047233 0.79 L3MBTL1 (0.47) L3MBTL1MAPK1NPSR1OPRK1MEN1
SCHEMBL20047016 0.79 L3MBTL1 (0.46) L3MBTL1NPSR1PKMSMN1; SMN2OPRK1
SCHEMBL20047171 0.78 KMT2A (0.50) L3MBTL1NPSR1OPRK1MEN1KMT2A
SCHEMBL19748736 0.78 L3MBTL1 (0.49) L3MBTL1NPSR1OPRK1MEN1KMT2A

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 GAA 2615/4885L3MBTL1 1781/4885TSHR 519/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD GAA 2615/4885L3MBTL1 1781/4885TSHR 519/4885

“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.