SCHEMBL20047233

SCHEMBL20047233

Cc1cc(C)c(S(=O)(=O)N2CCc3cc(-c4cccc(C(F)(F)F)c4)ccc3C2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ASIC3 Q9UHC3 1/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRK1 P41145 3/20 0.43
HDAC6 Q9UBN7 1/20 0.42
AKR1C3 P42330 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
EPHX2 P34913 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RORC P51449 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39

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
SCHEMBL20047170 0.90 HDAC6 (0.49) L3MBTL1OPRK1HDAC6AKR1C3NPSR1
SCHEMBL22484651 0.87 L3MBTL1 (0.53) L3MBTL1OPRK1AKR1C3NPSR1MEN1
SCHEMBL20047167 0.86 L3MBTL1 (0.50) L3MBTL1OPRK1AKR1C3NPSR1MEN1
SCHEMBL19748736 0.83 L3MBTL1 (0.49) L3MBTL1OPRK1AKR1C3NPSR1MEN1
SCHEMBL20047168 0.82 OPRK1 (0.53) L3MBTL1OPRK1AKR1C3NPSR1MEN1
SCHEMBL20047172 0.82 TMEM97 (0.51) L3MBTL1CYP3A4CYP2C19OPRK1AKR1C3
SCHEMBL20047232 0.81 AKR1C3 (0.49) L3MBTL1OPRK1AKR1C3NPSR1MEN1
SCHEMBL20047150 0.80 L3MBTL1 (0.47) L3MBTL1MAPTMAPK1OPRK1AKR1C3
SCHEMBL20047176 0.80 CYP11B1 (0.52) L3MBTL1CYP1A2CYP3A4CYP2C19OPRK1
SCHEMBL20047016 0.79 L3MBTL1 (0.46) L3MBTL1CYP3A4CYP2C19OPRK1AKR1C3

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 L3MBTL1 1781/4885ASIC3 4076/4885MAPT 4783/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD L3MBTL1 1781/4885ASIC3 4076/4885MAPT 4783/4885

“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.