SCHEMBL4039142

SCHEMBL4039142

CCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CCR1 P32246 2/20 0.38
P2RY12 Q9H244 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
MMP8 P22894 3/20 0.36
MMP3 P08254 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
KDM1A O60341 2/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL6274440 0.93 CTSK (0.48) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4044103 0.93 CTSK (0.42) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4039563 0.92 CTSK (0.54) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4042557 0.91 CTSS (0.45) CTSKCTSVCTSLCTSSMMP8
SCHEMBL4043807 0.91 CTSK (0.41) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4045150 0.90 CTSK (0.44) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4219116 0.90 CTSK (0.43) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4045239 0.90 CTSK (0.42) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4044159 0.89 CTSK (0.44) CTSKCCR1P2RY12CTSVCTSL
SCHEMBL4039713 0.89 CTSK (0.45) CTSKCCR1P2RY12CTSVCTSL

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-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP claimed
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 100/4885P2RY12 2329/4885

“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.