SCHEMBL4357765

SCHEMBL4357765

O=S(=O)(NOCc1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.51
PSMB5 P28074 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CSNK1D P48730 2/20 0.49
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45

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
SCHEMBL5329554 0.80 PSMB8 (0.57) PSMB8PSMB5CA12CA1CA2
SCHEMBL464742 0.77 CA2 (0.72) PSMB8PSMB5CA12CA1CA2
SCHEMBL8311438 0.76 L3MBTL1 (0.44) PSMB8PSMB5CA12CA1CA2
SCHEMBL25338846 0.75 ALDH1A1 (0.54) PSMB8PSMB5CA12CA1CA2
SCHEMBL10474769 0.73 PSMB8 (0.64) PSMB8PSMB5CA12CA1CA2
SCHEMBL8229512 0.73 PSMB8 (0.64) PSMB8PSMB5CA12CA1CA2
SCHEMBL8417368 0.73 PSMB8 (0.58) PSMB8PSMB5CA12CA1CA2
SCHEMBL329577 0.72 PSMB8 (0.72) PSMB8PSMB5CA12CA1CA2
Benzene SCHEMBL28000606 0.72 PSMB8 (0.72) PSMB8PSMB5CA12CA1CA2
SCHEMBL8311434 0.71 L3MBTL1 (0.46) PSMB8PSMB5CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1686113-A1 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-08-02 EP disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 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 (2 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 PSMB8 1457/4885PSMB5 798/4885CA12 604/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 PSMB8 1457/4885PSMB5 798/4885CA12 604/4885

“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.