SCHEMBL4798327

SCHEMBL4798327

C[C@@H](CNc1cc(Cl)ccc1F)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.42
METAP1 P53582 2/20 0.42
CPB2 Q96IY4 1/20 0.40
CTSL P07711 10/20 0.39
CTSS P25774 10/20 0.39
CTSK P43235 7/20 0.39
DPEP1 P16444 1/20 0.39
CTSD P07339 3/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 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
SCHEMBL4796328 0.91 CTSL (0.40) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4796447 0.86 KMT2A (0.43) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4798980 0.84 NPC1 (0.41) METAP2CTSLCTSSCTSK
SCHEMBL4800287 0.82 CTSL (0.44) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4801319 0.82 EPHX2 (0.49) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4796963 0.82 CTSS (0.40) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4799916 0.82 TAS1R3 (0.49) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4801927 0.81 CTSS (0.41) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4798054 0.79 CTSS (0.51) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4799148 0.79 CTSS (0.44) METAP2METAP1CTSLCTSSCTSK

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 METAP2 234/4885METAP1 202/4885CPB2 30/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ METAP2 234/4885METAP1 202/4885CPB2 30/4885

“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.