SCHEMBL4801922

SCHEMBL4801922

NC(=O)[C@H](CNc1c(F)cccc1F)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
TRPA1 O75762 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PARP10 Q53GL7 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HPGDS O60760 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
CTSB P07858 2/20 0.32
PDE4D Q08499 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 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
SCHEMBL4796956 0.89 EPHX1 (0.35) EPHX1TRPA1MMP1MMP2MMP3
SCHEMBL4796443 0.88 KMT2A (0.39) EPHX1MMP1MMP2MMP3PARP10
SCHEMBL4797749 0.84 NPC1 (0.41) CTSKCTSBMEN1KMT2AMGLL
SCHEMBL4798052 0.83 CTSS (0.38) EPHX1CTSKMGLL
SCHEMBL4800282 0.83 BTK (0.34) MMP1MMP2MMP3HPGDSCTSK
SCHEMBL6688113 0.83 BTK (0.34) MMP1MMP2MMP3HPGDSCTSK
SCHEMBL4796322 0.82 RAB9A (0.34) PARP10CTSBPYGLMGLL
SCHEMBL4799139 0.81 EPHX1 (0.36) EPHX1MMP1MMP2MMP3PARP10
SCHEMBL4798324 0.81 ALDH1A1 (0.36) EPHX1PARP10CTSKKMT2ACPB2
SCHEMBL4801315 0.80 EPHX2 (0.47) EPHX1MEN1KMT2A

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 EPHX1 2325/4885TRPA1 4344/4885MMP1 222/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX1 2325/4885TRPA1 4344/4885MMP1 222/4885

“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.