SCHEMBL2013525

SCHEMBL2013525

O=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MMP2 P08253 8/20 0.54
MMP9 P14780 6/20 0.54
MMP1 P03956 3/20 0.54
MMP13 P45452 3/20 0.54
MMP3 P08254 2/20 0.54
MMP7 P09237 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EEF2K O00418 1/20 0.48
ADAMTS4 O75173 2/20 0.48
MMP8 P22894 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP12 P39900 1/20 0.47
MMP14 P50281 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL10102615 0.89 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL2053891 0.89 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL4824739 0.87 MEN1 (0.58) MMP2MMP9MEN1KMT2AMAPT
SCHEMBL8512082 0.85 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL2161085 0.84 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL1000596 0.84 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL2161104 0.84 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7018767 0.82 GFER (0.57) MMP2MMP9MMP1MMP13MMP3
SCHEMBL30702481 0.81 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7383649 0.81 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 SLC1A3 1847/4885SLC1A2 3159/4885SLC1A1 1982/4885

“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.