SCHEMBL2053891

SCHEMBL2053891

O=C(O)C(NS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
SLC1A1 P43005 2/20 0.56
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
MAPT P10636 1/20 0.52
MMP2 P08253 7/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MMP9 P14780 5/20 0.50
ADAMTS4 O75173 3/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
MMP1 P03956 2/20 0.48
MMP13 P45452 2/20 0.48
MMP8 P22894 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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 1.00 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1HDAC8HDAC6
SCHEMBL2161104 0.89 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1MAPTMMP2
SCHEMBL1000596 0.89 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1MAPTMMP2
SCHEMBL2161085 0.89 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1MAPTMMP2
SCHEMBL2013525 0.89 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MAPTMMP2
SCHEMBL8273982 0.86 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1HDAC8HDAC6
SCHEMBL7383649 0.85 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1MMP2CA12
SCHEMBL1491472 0.85 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1MAPTMMP2
SCHEMBL1491474 0.85 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1MAPTMMP2
SCHEMBL4538018 0.84 HDAC8 (0.60) SLC1A3SLC1A2SLC1A1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212010-A1 Color developers for pressure-sensitive or heat-sensitive recording papers THE STANDARD REGISTER COMPANY (US) 1987-03-04 EP claimed
US-4623391-A COMPOUNDS HAVING ELECTRON-WITH DRAWING GROUPS WITHIN FIVE ATOMS OF A SULFANAMIDE THE STANDARD REGISTER COMPANY (US) 1986-11-18 US claimed
US-4531139-A Color developers for pressure-sensitive or heat-sensitive recording papers THE STANDARD REGISTER COMPANY (US) 1985-07-23 US claimed
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
EP-1715885-A2 COMPOSITIONS AND METHODS FOR ENHANCED MUCOSAL DELIVERY OF Y2 RECEPTOR-BINDING PEPTIDES AND METHODS FOR TREATING AND PREVENTING OBESITY Nastech Pharmaceutical Company Inc. (US) 2006-11-02 EP disclosed
WO-2005080433-A2 COMPOSITIONS AND METHODS FOR ENHANCED MUCOSAL DELIVERY OF Y2 RECEPTOR-BINDING PEPTIDES AND METHODS FOR TREATING AND PREVENTING OBESITY NASTECH PHARMACEUTICAL COMPANY INC. (US) 2005-09-01 WO disclosed
EP-0696208-A4 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS EMISPHERE TECH INC (US) 1997-01-29 EP disclosed
EP-0696208-A1 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS Emisphere Technologies, Inc. (US) 1996-02-14 EP disclosed
WO-1994023767-A1 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS EMISPHERE TECHNOLOGIES, INC. (US) 1994-10-27 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-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.