SCHEMBL4801319

SCHEMBL4801319

C[C@@H](CNc1cccc(Cl)c1)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
CTSS P25774 8/20 0.49
CTSL P07711 7/20 0.49
CTSK P43235 6/20 0.49
PPM1D O15297 1/20 0.49
METAP2 P50579 4/20 0.48
EPHX1 P07099 2/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.41
METAP1 P53582 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL4797750 0.87 CTSS (0.45) CTSSCTSLCTSKMETAP2GAA
SCHEMBL4800895 0.86 CTSL (0.44) CTSSCTSLCTSKMETAP2ALDH1A1
SCHEMBL4798555 0.86 CTSL (0.44) CTSSCTSLCTSKMETAP2ALDH1A1
SCHEMBL4796293 0.85 TSHR (0.52) CTSSCTSLCTSKEPHX1L3MBTL1
SCHEMBL4800967 0.85 CTSL (0.61) CTSSCTSLCTSKMETAP2ALDH1A1
SCHEMBL4800032 0.84 CTSL (0.43) CTSSCTSLCTSKMETAP2ALDH1A1
SCHEMBL4796166 0.82 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL4798327 0.82 METAP2 (0.42) CTSSCTSLCTSKMETAP2ALDH1A1
SCHEMBL4797862 0.81 CTSS (0.48) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4799916 0.81 TAS1R3 (0.49) CTSSCTSLCTSKMETAP2NPC1

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 4 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

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 EPHX2 2128/4885CTSS 1/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX2 2128/4885CTSS 1/4885CTSL 11/4885

“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.