SCHEMBL4291992

SCHEMBL4291992

O=C(O)N1C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSC P53634 1/20 0.48
HTR1A P08908 9/20 0.43
HTR7 P34969 9/20 0.43
CTSB P07858 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.37
ITGA4 P13612 5/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL3950846 0.89 CTSL (0.46) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3954087 0.87 CTSL (0.53) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL4298888 0.85 CTSL (0.52) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL4294690 0.85 CTSL (0.46) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3954877 0.85 CTSL (0.46) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3950947 0.85 CTSL (0.54) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL13661943 0.84 CTSL (0.46) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3948229 0.84 CTSL (0.53) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3946644 0.84 CTSL (0.63) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3955751 0.84 CTSL (0.50) CTSLCTSSCTSKCTSCHTR1A

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 1 patent. 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

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 CTSL 7/4885CTSS 2/4885CTSK 12/4885

“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.