SCHEMBL4594148

SCHEMBL4594148

[CH2]OS(=O)(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
CA2 P00918 5/20 0.52
CA1 P00915 4/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
CA9 Q16790 3/20 0.52
FAAH O00519 1/20 0.52
ELANE P08246 1/20 0.52
PRTN3 P24158 1/20 0.52
CA5A P35218 1/20 0.52
HTT P42858 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
F2 P00734 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 3/20 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
SCHEMBL1972890 0.81 KMT2A (0.65) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL27300181 0.79 KMT2A (0.63) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL260820 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL9309031 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL7307521 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL7999646 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL229507 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL14422308 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL9344000 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2
SCHEMBL6114729 0.77 KMT2A (0.61) KMT2ACA2CA1PRSS1PRSS2

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-7393836-B2 D-xylopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US disclosed
EP-1765842-B1 D-XYLOPYRANOSYL-SUBSTITUTED PHENYLS, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF, AND METHODS FOR PRODUCING THE SAME BOEHRINGER INGELHEIM INT (DE) 2008-01-09 EP disclosed
EP-1765842-A1 D-XYLOPYRANOSYL-SUBSTITUTED PHENYLS, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF, AND METHODS FOR PRODUCING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-28 EP disclosed
US-20060009400-A1 D-xylopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-12 US disclosed
WO-2006002912-A1 D-XYLOPYRANOSYL-SUBSTITUTED PHENYLS, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF, AND METHODS FOR PRODUCING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-12 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 (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-20060009400-A1 D-xylopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 KMT2A 1445/4885CA2 1317/4885CA1 4494/4885

“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.