SCHEMBL4043930

SCHEMBL4043930

CCCC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
ELOVL6 Q9H5J4 1/20 0.40
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
KCNQ1 P51787 1/20 0.35
GPR132 Q9UNW8 3/20 0.34
CCR1 P32246 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 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
SCHEMBL4042964 0.92 CTSK (0.49) CTSKELOVL6MAPTHSD17B10CTSL
SCHEMBL4042400 0.92 LMNA (0.43) CTSKELOVL6MAPTHSD17B10LMNA
SCHEMBL4037665 0.91 LMNA (0.44) CTSKELOVL6MAPTHSD17B10CTSL
SCHEMBL4040503 0.91 CTSK (0.44) CTSKELOVL6MAPTHSD17B10CTSL
SCHEMBL4040150 0.90 CTSK (0.41) CTSKMAPTCTSLCTSSGPR132
SCHEMBL4045971 0.90 CTSK (0.43) CTSKMAPTHSD17B10CTSLCTSS
SCHEMBL4038694 0.90 CTSK (0.39) CTSKLMNATSHRGPR132
SCHEMBL4041799 0.89 CTSK (0.45) CTSKELOVL6MAPTHSD17B10CTSL
SCHEMBL4040210 0.88 CTSK (0.53) CTSKMAPTHSD17B10CTSLCTSS
SCHEMBL4044361 0.88 CTSK (0.44) CTSKELOVL6HSD17B10CTSLCTSS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885ELOVL6 4117/4885MAPT 3367/4885

“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.