SCHEMBL4797749

SCHEMBL4797749

NC(=O)[C@H](CNc1cccc(F)c1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.37
MAPT P10636 1/20 0.36
USP30 Q70CQ3 1/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
F2RL1 P55085 1/20 0.35
HDAC4 P56524 1/20 0.34
MEF2D Q14814 1/20 0.34
CTSB P07858 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
SCHEMBL4799139 0.89 EPHX1 (0.36) MGLLCTSLCTSSCTSKCTSB
SCHEMBL4798549 0.88 F3 (0.39) NPC1MEN1KMT2ASMN1; SMN2MGLL
SCHEMBL4801315 0.88 EPHX2 (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4798052 0.87 CTSS (0.38) NPC1RAB9ASMN1; SMN2MGLLCTSL
SCHEMBL4800887 0.86 NPC1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4796292 0.85 TSHR (0.50) NPC1RAB9AKMT2ASMN1; SMN2CTSL
SCHEMBL4796161 0.85 CTSL (0.43) CTSLCTSSCTSK
SCHEMBL4800960 0.84 CTSL (0.47) MEN1KMT2ASMN1; SMN2CTSLCTSS
SCHEMBL4801922 0.84 EPHX1 (0.37) MEN1KMT2AMGLLCTSKCTSB
SCHEMBL4796322 0.84 RAB9A (0.34) NPC1RAB9ASMN1; SMN2MGLLCTSL

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 NPC1 82/4885RAB9A 905/4885MEN1 3815/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ NPC1 82/4885RAB9A 905/4885MEN1 3815/4885

“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.