SCHEMBL3950906

SCHEMBL3950906

O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
MAPK1 P28482 1/20 0.35
F10 P00742 1/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 1/20 0.35
DPP4 P27487 1/20 0.35
RECQL P46063 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
SCHEMBL4298295 0.89 CPT2 (0.50) CPT2CPT1ACPT1BALDH1A1
SCHEMBL8049539 0.88 BRD4 (0.44) HSP90AA1HSP90AB1CPT2CPT1ACPT1B
SCHEMBL13662001 0.84 F10 (0.36) ACLYHSP90AA1HSP90AB1CPT2CPT1A
SCHEMBL3945580 0.82 MAPK1 (0.40) ACLYCPT2CPT1ACPT1BKDM4E
SCHEMBL4289857 0.82 CTSL (0.48) ALDH1A1MMP2MMP9MMP1GRM5
SCHEMBL3955811 0.81 CPT2 (0.47) ACLYCPT2CPT1ACPT1B
SCHEMBL3954141 0.80 CPT2 (0.41) ACLYCPT2CPT1ACPT1BKDM4E
SCHEMBL8047069 0.79 CPT2 (0.46) CPT2CPT1ACPT1B
SCHEMBL4301872 0.79 CTSL (0.51) CPT2CPT1ACPT1BALDH1A1
SCHEMBL4290246 0.78 BRD4 (0.44) ACLYCPT2CPT1ACPT1BALDH1A1

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 ACLY 2121/4885HSP90AA1 1841/4885HSP90AB1 1085/4885

“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.