SCHEMBL4040649

SCHEMBL4040649

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
ACE P12821 2/20 0.38
SMYD3 Q9H7B4 2/20 0.38
GPR132 Q9UNW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.35
CCR1 P32246 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
SCHEMBL4045831 0.93 CTSK (0.51) CTSKACESMYD3GPR132ALDH1A1
SCHEMBL4041827 0.93 CTSK (0.43) CTSKACESMYD3GPR132ALDH1A1
SCHEMBL4038224 0.92 CTSK (0.44) CTSKACESMYD3GPR132
SCHEMBL4042695 0.92 CHRNB2 (0.41) CTSKGPR132LMNATSHR
SCHEMBL4042752 0.92 CTSK (0.52) CTSKACESMYD3GPR132LMNA
SCHEMBL4041490 0.92 CTSK (0.51) CTSKACESMYD3ALDH1A1CYP2C9
SCHEMBL4042626 0.92 CTSK (0.40) CTSKACESMYD3GPR132ALDH1A1
SCHEMBL4039411 0.91 CTSK (0.43) CTSKACEGPR132CCR1
SCHEMBL4038694 0.90 CTSK (0.39) CTSKACESMYD3GPR132LMNA
SCHEMBL4046752 0.90 CTSK (0.40) CTSKACESMYD3GPR132

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 2/4885ACE 3804/4885SMYD3 4011/4885

“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.