SCHEMBL3949353

SCHEMBL3949353

O=S(=O)(O)c1cc(Cl)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
CA2 P00918 6/20 0.33
CA1 P00915 5/20 0.33
CA9 Q16790 4/20 0.33
KDM1A O60341 2/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
KDM1B Q8NB78 1/20 0.33
TET2 Q6N021 1/20 0.33
GPR27 Q9NS67 1/20 0.33
CA12 O43570 3/20 0.32
CA3 P07451 3/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32
CA5A P35218 3/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA5B Q9Y2D0 3/20 0.32
CA13 Q8N1Q1 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL27855812 0.89 POLB (0.39) POLBAPEX1CA2CA1CA9
SCHEMBL29641997 0.87 ALDH1A1 (0.33) CA2CA1CA9PTGES2TET2
SCHEMBL13646656 0.87 ALDH1A1 (0.33) CA2CA1CA9PTGES2TET2
SCHEMBL4565135 0.86 CA1 (0.39) POLBAPEX1CA2CA1CA9
SCHEMBL1989758 0.84 CA1 (0.38) POLBAPEX1CA2CA1CA9
SCHEMBL1992615 0.84 CA1 (0.38) POLBAPEX1CA2CA1CA9
SCHEMBL3947216 0.82 KDM1A (0.35) POLBAPEX1CA2CA1CA9
SCHEMBL29410051 0.81 L3MBTL1 (0.44) CA2CA1CA9CA12CA3
SCHEMBL826419 0.81 L3MBTL1 (0.44) CA2CA1CA9CA12CA3
SCHEMBL3948181 0.80 TRPV4 (0.46) POLBAPEX1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF POLB 690/4885APEX1 3480/4885CA2 212/4885

“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.