SCHEMBL4796322

SCHEMBL4796322

NC(=O)[C@H](CNc1cc(F)ccc1F)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
PARP10 Q53GL7 1/20 0.34
CTSS P25774 2/20 0.34
CTSB P07858 1/20 0.34
POLB P06746 3/20 0.34
PKM P14618 1/20 0.34
CTSL P07711 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
REN P00797 1/20 0.32
PARP1 P09874 1/20 0.32
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
MGLL Q99685 1/20 0.31
CTSD P07339 1/20 0.31
PYGL P06737 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4798324 0.91 ALDH1A1 (0.36) RAB9ANPC1PARP10CTSSCTSL
SCHEMBL4798977 0.90 RAB9A (0.40) RAB9ANPC1PARP10CTSSPOLB
SCHEMBL4796443 0.88 KMT2A (0.39) RAB9ANPC1PARP10POLBALDH1A1
SCHEMBL6704683 0.86 RAB9A (0.36) RAB9ANPC1CTSSPOLBPKM
SCHEMBL4798052 0.85 CTSS (0.38) RAB9ANPC1CTSSPOLBCTSL
SCHEMBL4797749 0.84 NPC1 (0.41) RAB9ANPC1CTSSCTSBCTSL
SCHEMBL4796956 0.84 EPHX1 (0.35) RAB9ANPC1PARP10CTSBREN
SCHEMBL4799139 0.83 EPHX1 (0.36) PARP10CTSSCTSBCTSLMGLL
SCHEMBL4801922 0.82 EPHX1 (0.37) PARP10CTSBMGLLPYGL
SCHEMBL6688113 0.80 BTK (0.34) RAB9ANPC1CTSSCTSLALDH1A1

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 5 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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO 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 RAB9A 905/4885NPC1 82/4885PARP10 2040/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ RAB9A 905/4885NPC1 82/4885PARP10 2040/4885

“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.