SCHEMBL4800282

SCHEMBL4800282

NC(=O)C(CNc1cccc(Cl)c1F)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.34
REN P00797 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CFD P00746 2/20 0.32
TSHR P16473 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
SCHEMBL6688113 1.00 BTK (0.34) BTKRENTAS1R3TAS1R1CTSL
SCHEMBL4796956 0.90 EPHX1 (0.35) RENCTSKNPC1RAB9AMMP1
SCHEMBL4799908 0.90 TAS1R3 (0.40) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL4796443 0.86 KMT2A (0.39) CYP3A4KDM4EALDH1A1L3MBTL1NPC1
SCHEMBL4798977 0.84 RAB9A (0.40) CTSLCTSSCTSKMAPK11MAPK14
SCHEMBL4798324 0.83 ALDH1A1 (0.36) BTKRENCTSLCTSSCTSK
SCHEMBL4801922 0.83 EPHX1 (0.37) CTSKMMP1MMP2MMP3HPGDS
SCHEMBL4799971 0.82 TP53 (0.42) KDM4EALDH1A1NPC1RAB9AMMP1
SCHEMBL6693524 0.82 TP53 (0.42) KDM4EALDH1A1NPC1RAB9AMMP1
SCHEMBL4796322 0.80 RAB9A (0.34) RENCTSLCTSSALDH1A1NPC1

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 BTK 2847/4885REN 343/4885TAS1R3 3063/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ BTK 2847/4885REN 343/4885TAS1R3 3063/4885

“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.