SCHEMBL4044159

SCHEMBL4044159

CCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.44
CCR1 P32246 3/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
CTSS P25774 3/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
KDM1A O60341 2/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
P2RY12 Q9H244 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4045332 0.94 CTSK (0.43) CTSKCCR1MMP2CTSSCTSV
SCHEMBL6237568 0.93 CTSK (0.46) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4044038 0.92 CTSK (0.54) CTSKCCR1MMP2MMP9ADAM17
SCHEMBL4041521 0.92 CTSK (0.42) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4037229 0.91 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4043946 0.91 CTSK (0.43) CTSKCCR1MMP2CTSSCTSV
SCHEMBL4043294 0.91 CTSS (0.44) CTSKMMP2MMP9ADAM17CTSS
SCHEMBL4041084 0.90 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4048667 0.90 CTSK (0.54) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4043438 0.89 CTSK (0.55) CTSKCCR1CTSSCTSVCTSL

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 7 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
WO-2009022123-A1 APPARATUS FOR STORING AND DISPENSING A WATER DISPERSIBLE SUBSTANCE AND RELATED METHOD CONCENTRATED SOLUTIONS LIMITED (GB) 2009-02-19 WO 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 2/4885CCR1 100/4885MMP2 284/4885

“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.