SCHEMBL4041827

SCHEMBL4041827

CCCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37
ACE P12821 1/20 0.37
SMYD3 Q9H7B4 2/20 0.37
GPR132 Q9UNW8 3/20 0.36
CCR1 P32246 2/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
HTRA1 Q92743 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
SCHEMBL4037649 0.93 CTSK (0.51) CTSKALDH1A1LMNAPOLBACE
SCHEMBL4040649 0.93 CTSK (0.42) CTSKALDH1A1LMNAACESMYD3
SCHEMBL4045831 0.91 CTSK (0.51) CTSKALDH1A1LMNAACESMYD3
SCHEMBL4042752 0.91 CTSK (0.52) CTSKLMNAACESMYD3GPR132
SCHEMBL4042695 0.91 CHRNB2 (0.41) CTSKLMNAGPR132
SCHEMBL4038224 0.91 CTSK (0.44) CTSKACESMYD3GPR132
SCHEMBL6209230 0.90 CCR1 (0.45) CTSKACESMYD3GPR132CCR1
SCHEMBL4042626 0.90 CTSK (0.40) CTSKALDH1A1LMNAACESMYD3
SCHEMBL4039411 0.90 CTSK (0.43) CTSKACEGPR132CCR1PREP
SCHEMBL4044361 0.89 CTSK (0.44) CTSKLMNAPOLBSMYD3CCR1

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 10 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-2051715-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008021545-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 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 2/4885ALDH1A1 4151/4885LMNA 3686/4885

“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.