SCHEMBL4043946

SCHEMBL4043946

CCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.43
CCR1 P32246 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
CXCR3 P49682 1/20 0.34
CTSS P25774 5/20 0.34
CTSL P07711 4/20 0.34
CTSB P07858 2/20 0.34
EPHX2 P34913 2/20 0.33
SLC6A9 P48067 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CTSV O60911 2/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL4039920 0.92 CTSK (0.52) CTSKCCR1CXCR3CTSSCTSL
SCHEMBL4038835 0.92 CTSK (0.47) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4045332 0.92 CTSK (0.43) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4041521 0.91 CTSK (0.42) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4044159 0.91 CTSK (0.44) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4048667 0.89 CTSK (0.54) CTSKCCR1CTSSCTSLCTSV
SCHEMBL6237568 0.89 CTSK (0.46) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4037229 0.89 CTSK (0.45) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4045239 0.89 CTSK (0.42) CTSKCCR1KDM2BCXCR3CTSS
SCHEMBL4041084 0.88 CTSK (0.45) CTSKCCR1CTSSCTSLCTSV

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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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

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 2/4885CCR1 100/4885KDM2B 4089/4885

“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.