SCHEMBL20534388

SCHEMBL20534388

O=C(CS(=O)(=O)c1cccc(Br)c1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.43
ATM Q13315 1/20 0.43
MMP2 P08253 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
FFAR1 O14842 1/20 0.41
BRD4 O60885 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL25062005 0.85 LMNA (0.58) ALDH1A1MAPK1L3MBTL1LMNAGAA
SCHEMBL13299628 0.82 GAA (0.62) EGFRALDH1A1MAPK1LMNAGAA
SCHEMBL2069136 0.79 ATM (0.48) GLAEGFRERBB2ALDH1A1MAPK1
SCHEMBL3457564 0.78 ATM (0.56) EGFRERBB2ATMMMP2FFAR1
SCHEMBL20534589 0.78 HDAC3 (0.43) ALDH1A1MAPK1L3MBTL1LMNAGAA
SCHEMBL1724245 0.77 ALDH1A1 (0.69) GLAEGFRERBB2ALDH1A1MAPK1
SCHEMBL27678845 0.76 MMP2 (0.52) EGFRERBB2MAOBMMP2KMT2A
SCHEMBL28538179 0.76 HSD11B1 (0.56) ALDH1A1MAPK1L3MBTL1ATMKMT2A
SCHEMBL30209492 0.76 HSD11B1 (0.56) ALDH1A1MAPK1L3MBTL1ATMKMT2A
SCHEMBL24390160 0.75 KMT2A (0.44) ALDH1A1MAPK1L3MBTL1LMNAGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 US disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 US disclosed
EP-3609880-A1 LIVER X RECEPTORS (LXR) MODULATORS Phenex-FXR GmbH (DE) 2020-02-19 EP disclosed
CN-110546144-A Liver X Receptor (LXR) modulators PHENEX FXR GMBH 2019-12-06 CN disclosed
WO-2018188795-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2018-10-18 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 (1 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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 GLA 1779/4885EGFR 723/4885ERBB2 1332/4885

“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.