SCHEMBL3948813

SCHEMBL3948813

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 3/20 0.41
CTSL P07711 4/20 0.41
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.41
CTSC P53634 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
HTR6 P50406 1/20 0.40
HPGD P15428 2/20 0.40
ACLY P53396 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4298985 0.87 CTSL (0.55) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL8063852 0.86 NR1H2 (0.41) ACHEMCL1CTSLCTSSCTSK
SCHEMBL3955912 0.86 ALDH1A1 (0.42) MCL1CTSLCTSSCTSKCTSC
SCHEMBL3945580 0.83 MAPK1 (0.40) MAPK1MCL1ALDH1A1KDM4ETSHR
SCHEMBL3954141 0.83 CPT2 (0.41) MAPK1MCL1ALDH1A1KDM4EHTR6
SCHEMBL3948958 0.81 CTSL (0.62) ACHEMAPK1MCL1CTSLCTSS
SCHEMBL3948274 0.81 CTSL (0.62) ACHEMAPK1MCL1CTSLCTSS
SCHEMBL13661920 0.81 ACHE (0.43) ACHEMAPK1MCL1CTSLCTSS
SCHEMBL3948674 0.80 MAPT (0.37) MAPK1MCL1ALDH1A1KDM4ENPSR1
SCHEMBL3955811 0.78 CPT2 (0.47) HTR6ACLYCPT2CPT1ACPT1B

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 ACHE 1547/4885MAPK1 3111/4885MCL1 3575/4885

“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.