SCHEMBL20046985

SCHEMBL20046985

O=S(=O)(c1ccc(Cl)cc1)N1CCc2cc(Br)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.60
ESR2 Q92731 1/20 0.56
AKR1C1 Q04828 1/20 0.54
PDE4B Q07343 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.51
ATM Q13315 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
PKM P14618 1/20 0.48
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2590065 0.86 AKR1C3 (0.60) AKR1C3ESR2KMT2AMEN1HDAC6
SCHEMBL20046992 0.83 HDAC6 (0.69) AKR1C3ESR2KMT2AMEN1HDAC6
SCHEMBL5915341 0.81 KMT2A (0.77) AKR1C3ESR2AKR1C1KMT2AMEN1
SCHEMBL5632531 0.81 AKR1C3 (0.60) AKR1C3ESR2AKR1C1PDE4BKMT2A
SCHEMBL723811 0.81 MEN1 (0.68) AKR1C3ESR2KMT2AMEN1HDAC6
SCHEMBL38665856 0.81 AKR1C3 (0.55) AKR1C3ESR2AKR1C1KMT2AMEN1
SCHEMBL31670441 0.81 AKR1C3 (0.73) AKR1C3ESR2AKR1C1KMT2AMEN1
SCHEMBL20047121 0.80 KMT2A (0.54) AKR1C3ESR2AKR1C1PDE4BKMT2A
SCHEMBL22504152 0.78 AKR1C3 (0.55) AKR1C3ESR2KMT2AMEN1HDAC6
SCHEMBL5632587 0.78 AKR1C3 (0.77) AKR1C3ESR2AKR1C1KMT2AMEN1

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 AKR1C3 1019/4885ESR2 11/4885AKR1C1 919/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD AKR1C3 1019/4885ESR2 11/4885AKR1C1 919/4885

“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.