SCHEMBL21872155

SCHEMBL21872155

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.73
KAT6A Q92794 1/20 0.63
MMP1 P03956 2/20 0.60
MMP2 P08253 1/20 0.60
MMP3 P08254 1/20 0.60
MMP7 P09237 1/20 0.60
MMP9 P14780 1/20 0.60
MMP13 P45452 1/20 0.60
APEX1 P27695 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.55
MMP12 P39900 1/20 0.55
MEP1B Q16820 2/20 0.55
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
BRD4 O60885 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51

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
SCHEMBL29134888 0.83 ATM (0.59) ATMKAT6AMMP2MMP9GAA
SCHEMBL30015910 0.83 ATM (0.59) ATMKAT6AMMP2MMP9GAA
SCHEMBL13330110 0.81 APEX1 (0.54) ATMMMP1MMP2MMP3MMP7
SCHEMBL359770 0.81 MMP1 (0.79) MMP1MMP2MMP3MMP7MMP9
SCHEMBL18498633 0.80 ATM (0.72) ATMKAT6AKMT2AMEP1BTDP1
SCHEMBL30015741 0.79 ATM (0.70) ATMKAT6AKMT2AGAAMEP1B
SCHEMBL1348672 0.79 ATM (0.70) ATMKAT6AKMT2AGAAMEP1B
SCHEMBL29955316 0.78 ALDH1A1 (0.60) MMP1APEX1KMT2AGAAMMP12
SCHEMBL15721307 0.78 APEX1 (0.54) ATMMMP1MMP2MMP3MMP7
SCHEMBL17513498 0.78 ATM (0.60) ATMKAT6AKMT2ATDP1BRD4

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 1 patent. 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

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 3280/4885KAT6A 1519/4885MMP1 4830/4885

“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.