SCHEMBL20534352

SCHEMBL20534352

COC(=O)C(C)S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.41
HSD17B2 P37059 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KAT6A Q92794 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 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
SCHEMBL6097619 0.80 CA12 (0.51) ATMALDH1A1MAPTCA12CA1
SCHEMBL17443304 0.77 F2 (0.54) ALDH1A1POLBMMP1MMP2MMP9
SCHEMBL1271030 0.77 HSD17B2 (0.42) ATMALDH1A1BRD4HSD17B2MMP1
SCHEMBL27620000 0.74 HSD17B2 (0.40) ATMALDH1A1BRD4HSD17B2MMP1
SCHEMBL6421439 0.73 ATM (0.35) ATMALDH1A1POLBMAPTBRD4
SCHEMBL2070166 0.73 THRB (0.40) ATMBRD4HSD17B2MMP1MMP2
SCHEMBL17503637 0.72 CA1 (0.54) ALDH1A1POLBMMP1MMP2MMP3
SCHEMBL16213346 0.72 CA1 (0.54) ALDH1A1POLBMMP1MMP2MMP3
SCHEMBL1133808 0.71 PTGS1 (0.60) ALDH1A1POLBMAPT
SCHEMBL14624428 0.71 PTGS1 (0.60) ALDH1A1POLBMAPT

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 ATM 3280/4885ALDH1A1 2980/4885POLB 4309/4885

“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.