SCHEMBL3457564

SCHEMBL3457564

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
MMP2 P08253 1/20 0.51
MMP7 P09237 1/20 0.51
MMP14 P50281 1/20 0.51
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
BRD4 O60885 1/20 0.46
HSD11B1 P28845 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
FFAR1 O14842 2/20 0.43
KAT6A Q92794 1/20 0.43
BCL2 P10415 1/20 0.41
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
BCL2L2 Q92843 1/20 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
SCHEMBL14534848 0.87 MMP2 (0.60) MMP2MMP7MMP14HSD11B1FFAR1
SCHEMBL30633557 0.84 POLB (0.49) ATMEGFRERBB2BRD4HSD11B1
SCHEMBL3904766 0.84 ALDH1A1 (0.50) ATMEGFRERBB2BRD4CA12
SCHEMBL28538179 0.83 HSD11B1 (0.56) ATMBRD4HSD11B1CA12CA9
SCHEMBL30209492 0.83 HSD11B1 (0.56) ATMBRD4HSD11B1CA12CA9
SCHEMBL21872042 0.83 ATM (0.61) ATMEGFRERBB2BRD4HSD11B1
SCHEMBL6421436 0.83 ATM (0.42) ATMMMP2MMP7MMP14EGFR
SCHEMBL10639234 0.82 MMP2 (0.49) ATMMMP2MMP7MMP14HSD11B1
SCHEMBL2069136 0.80 ATM (0.48) ATMEGFRERBB2BRD4HSD11B1
SCHEMBL21872095 0.80 ATM (0.58) ATMEGFRERBB2BRD4HSD11B1

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 7 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
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
CN-1938273-B Tetrahydrocarbazoles and derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
CN-1938273-A Tetrahydrocarbazoles and derivatives HOFFMANN LA ROCHE (CH) 2007-03-28 CN 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ATM 3934/4885MMP2 1633/4885MMP7 604/4885
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 ATM 3280/4885MMP2 4733/4885MMP7 4643/4885

“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.