SCHEMBL2006242

SCHEMBL2006242

O=C(O)CCNS(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKLR P30613 3/20 0.56
CASP1 P29466 2/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FABP4 P15090 3/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
ATM Q13315 1/20 0.48
TBXA2R P21731 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CCR1 P32246 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46

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
SCHEMBL15924985 0.80 FEN1 (0.55) CASP1ALDH1A1LMNATHRBL3MBTL1
SCHEMBL2949015 0.79 FABP4 (0.57) PKLRALDH1A1LMNATHRBL3MBTL1
SCHEMBL2941286 0.79 FABP4 (0.57) PKLRALDH1A1LMNATHRBL3MBTL1
SCHEMBL3632239 0.78 CA12 (0.62) ALDH1A1LMNATHRBL3MBTL1KDM4E
SCHEMBL3286523 0.78 MMP9 (0.75) ALDH1A1LMNAKDM4EGAANPSR1
SCHEMBL14398993 0.77 PKLR (0.49) PKLRALDH1A1LMNATHRBL3MBTL1
SCHEMBL9396641 0.77 CASP1 (0.48) CASP1CCR1
SCHEMBL1200801 0.76 ALDH1A1 (0.75) ALDH1A1LMNAKDM4EGAANPSR1
SCHEMBL3203408 0.76 FABP4 (0.60) PKLRALDH1A1LMNAKDM4EFABP4
SCHEMBL12496885 0.76 RECQL (0.65) ALDH1A1LMNATHRBL3MBTL1KDM4E

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 PKLR 3563/4885CASP1 146/4885ALDH1A1 1255/4885

“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.