SCHEMBL10058280

SCHEMBL10058280

O=C(O)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.50
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL8365625 0.88 ABCB1 (0.46) CASP1SLC1A3SLC1A2SLC1A1CA1
SCHEMBL6671273 0.84 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL6671271 0.84 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL18775042 0.84 CTSK (0.52) CA2CA12CA9
SCHEMBL28367643 0.84 CTSK (0.52) CA2CA12CA9
SCHEMBL6752720 0.83 CASP1 (0.49) CASP1CA1CA2CA12CA9
SCHEMBL10058309 0.82 SLC1A3 (0.50) CASP1SLC1A3SLC1A2SLC1A1CA1
SCHEMBL5019111 0.78 ALDH1A1 (0.51) CASP1
SCHEMBL27561390 0.78 CASP1 (0.51) CASP1
SCHEMBL7380824 0.77 CASP1 (0.81) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 EP disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 US disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 US disclosed
WO-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 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-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA F2, F12, SERPINC1 CASP1 561/4885SLC1A3 4139/4885SLC1A2 4265/4885

“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.