SCHEMBL4800960

SCHEMBL4800960

CS(=O)(=O)c1cccc(NC[C@H](NC(=O)[CH]CC2CCCCC2)C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR3 P51677 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HIF1A Q16665 1/20 0.36
FAAH O00519 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EML4 Q9HC35 1/20 0.35
ALK Q9UM73 1/20 0.35
GRK2 P25098 1/20 0.35
SYK P43405 1/20 0.34
ALDH3A1 P30838 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL4799975 0.88 CTSL (0.43) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4800887 0.85 NPC1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL4801315 0.84 EPHX2 (0.47) CTSSMEN1KMT2AALDH1A1
SCHEMBL4798549 0.84 F3 (0.39) MEN1KMT2AALDH1A1FAAHSMN1; SMN2
SCHEMBL4797749 0.84 NPC1 (0.41) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4800027 0.82 BRD4 (0.38) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4796292 0.82 TSHR (0.50) CTSLCTSKKMT2AALDH1A1SMN1; SMN2
SCHEMBL4802535 0.81 CA2 (0.43) MEN1KMT2AALDH1A1MAPK1CA12
SCHEMBL4797524 0.81 MMP1 (0.36) MEN1KMT2AALDH1A1ALDH3A1TDP1
SCHEMBL4796161 0.80 CTSL (0.43) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSL 11/4885CTSS 1/4885CTSK 9/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSL 11/4885CTSS 1/4885CTSK 9/4885

“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.