SCHEMBL4798543

SCHEMBL4798543

COc1c(C)cc(NC[C@H](NC(=O)[CH]CC2CCCCC2)C(N)=O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSL P07711 6/20 0.34
CTSS P25774 6/20 0.34
CTSK P43235 5/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
EPHX2 P34913 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL3014755 0.85 EPHX2 (0.47) ALDH1A1CTSLCTSSCTSKEPHX2
SCHEMBL4801077 0.85 EPHX2 (0.47) ALDH1A1CTSLCTSSCTSKEPHX2
SCHEMBL4800038 0.84 EPHX2 (0.35) ALDH1A1CTSLCTSSCTSKEPHX2
SCHEMBL3020738 0.83 EPHX2 (0.46) CTSLCTSSCTSKEPHX2
SCHEMBL4799139 0.82 EPHX1 (0.36) CTSLCTSSCTSKPARP10
SCHEMBL4797850 0.79 MME (0.36) METAP2KMT2ACTSLCTSSCTSK
SCHEMBL4798052 0.78 CTSS (0.38) CTSLCTSSCTSK
SCHEMBL4800887 0.77 NPC1 (0.39) KMT2AALDH1A1TDP1EPHX2
SCHEMBL4799975 0.77 CTSL (0.43) KMT2AALDH1A1CTSLCTSSCTSK
SCHEMBL4796236 0.77 MAPT (0.45) ALDH1A1CTSLCTSSCTSK

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 234/4885KMT2A 4282/4885ALDH1A1 3512/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ METAP2 234/4885KMT2A 4282/4885ALDH1A1 3512/4885

“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.