SCHEMBL3955811

SCHEMBL3955811

O=C(O)N1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
HTR1A P08908 6/20 0.43
HTR7 P34969 6/20 0.43
AR P10275 1/20 0.43
ACLY P53396 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GAA P10253 1/20 0.38
LIPE Q05469 2/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.38
MMP12 P39900 1/20 0.37

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
SCHEMBL8062643 0.89 CPT2 (0.45) CPT2CPT1ACPT1BHTR1AHTR7
SCHEMBL3954141 0.87 CPT2 (0.41) CPT2CPT1ACPT1BACLYHTR6
SCHEMBL13661942 0.84 CPT2 (0.45) CPT2CPT1ACPT1BHTR1AHTR7
SCHEMBL3945580 0.84 MAPK1 (0.40) CPT2CPT1ACPT1BACLYHTR6
SCHEMBL3954835 0.84 HTR1A (0.43) CPT2CPT1ACPT1BHTR1AHTR7
SCHEMBL3948674 0.84 MAPT (0.37) CPT2CPT1ACPT1BACLYGAA
SCHEMBL3950906 0.81 ACLY (0.38) CPT2CPT1ACPT1BACLY
SCHEMBL4291992 0.81 CTSL (0.48) CPT2CPT1ACPT1BHTR1AHTR7
SCHEMBL3948813 0.78 ACHE (0.43) CPT2CPT1ACPT1BACLYHTR6
SCHEMBL8063010 0.76 NR1H2 (0.41) CPT2CPT1ACPT1BHTR1AHTR7

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 CPT2 3009/4885CPT1A 3354/4885CPT1B 1975/4885

“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.