SCHEMBL4040752

SCHEMBL4040752

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.54
CCR1 P32246 2/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
P2RY12 Q9H244 1/20 0.35
RAB9A P51151 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
MMP8 P22894 2/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
MMP3 P08254 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4044649 0.92 CTSK (0.65) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4045150 0.92 CTSK (0.44) CTSKCCR1CTSVCTSLCTSS
SCHEMBL6274440 0.92 CTSK (0.48) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4039713 0.90 CTSK (0.45) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4038812 0.90 CTSK (0.54) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4044103 0.90 CTSK (0.42) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4042617 0.90 CTSK (0.46) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4043368 0.89 CTSK (0.42) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4039142 0.88 CTSK (0.45) CTSKCCR1CTSVCTSLCTSS
SCHEMBL4043438 0.88 CTSK (0.55) CTSKCCR1CTSVCTSLCTSS

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 8 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
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 100/4885CTSV 29/4885

“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.