SCHEMBL19748736

SCHEMBL19748736

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
AKR1C3 P42330 8/20 0.48
ESR2 Q92731 1/20 0.45
OPRK1 P41145 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.42
AKR1C1 Q04828 2/20 0.41

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
SCHEMBL20047016 0.90 L3MBTL1 (0.46) L3MBTL1AKR1C3ESR2OPRK1NPSR1
SCHEMBL22484651 0.89 L3MBTL1 (0.53) L3MBTL1AKR1C3ESR2OPRK1NPSR1
SCHEMBL26211247 0.87 AKR1C3 (0.55) AKR1C3ESR2MEN1KMT2AAKR1C1
SCHEMBL20047167 0.86 L3MBTL1 (0.50) L3MBTL1AKR1C3ESR2OPRK1NPSR1
SCHEMBL20047172 0.84 TMEM97 (0.51) L3MBTL1AKR1C3OPRK1NPSR1MEN1
SCHEMBL20047233 0.83 L3MBTL1 (0.47) L3MBTL1AKR1C3OPRK1NPSR1MEN1
SCHEMBL20047232 0.83 AKR1C3 (0.49) L3MBTL1AKR1C3ESR2OPRK1NPSR1
SCHEMBL20047150 0.82 L3MBTL1 (0.47) L3MBTL1AKR1C3ESR2OPRK1NPSR1
SCHEMBL20047168 0.82 OPRK1 (0.53) L3MBTL1AKR1C3ESR2OPRK1NPSR1
SCHEMBL20047176 0.82 CYP11B1 (0.52) L3MBTL1OPRK1

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-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-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
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
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO disclosed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 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 1781/4885AKR1C3 1019/4885ESR2 11/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD L3MBTL1 1781/4885AKR1C3 1019/4885ESR2 11/4885

“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.