SCHEMBL4796447

SCHEMBL4796447

C[C@@H](CNc1ccccc1F)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
METAP2 P50579 3/20 0.41
METAP1 P53582 3/20 0.41
LMNA P02545 2/20 0.41
CTSL P07711 11/20 0.41
CTSS P25774 11/20 0.41
CTSK P43235 7/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CTSB P07858 1/20 0.38
CTSC P53634 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
SCHEMBL4796963 0.91 CTSS (0.40) KMT2ANPC1RAB9AMETAP2METAP1
SCHEMBL4801927 0.88 CTSS (0.41) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4796328 0.87 CTSL (0.40) NPC1RAB9AMETAP2METAP1CTSL
SCHEMBL4799916 0.87 TAS1R3 (0.49) NPC1RAB9AMETAP2METAP1CTSL
SCHEMBL4798327 0.86 METAP2 (0.42) METAP2METAP1LMNACTSLCTSS
SCHEMBL4799977 0.86 TP53 (0.46) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4800287 0.85 CTSL (0.44) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4797529 0.84 CTSL (0.42) METAP2METAP1CTSLCTSSCTSK
SCHEMBL4798054 0.82 CTSS (0.51) METAP2METAP1CTSLCTSSCTSK
SCHEMBL6686249 0.81 KMT2A (0.44) KMT2ANPC1RAB9ALMNAMEN1

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 KMT2A 4282/4885NPC1 82/4885RAB9A 905/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ KMT2A 4282/4885NPC1 82/4885RAB9A 905/4885

“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.