SCHEMBL4042871

SCHEMBL4042871

CCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
GPR132 Q9UNW8 7/20 0.43
ACE P12821 2/20 0.42
CCR1 P32246 1/20 0.38
HTRA1 Q92743 1/20 0.38
MMP13 P45452 1/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
PTAFR P25105 2/20 0.37
FAAH O00519 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4039388 0.93 CTSK (0.45) CTSKGPR132PTAFR
SCHEMBL4042595 0.92 CTSK (0.57) CTSKGPR132ACECCR1HTRA1
SCHEMBL4043614 0.91 CTSK (0.44) CTSKGPR132ACECCR1HTRA1
SCHEMBL4046951 0.91 CTSK (0.47) CTSKGPR132ACEHTRA1MMP13
SCHEMBL4045236 0.90 CTSK (0.47) CTSKGPR132ACECCR1HTRA1
SCHEMBL4038809 0.90 CTSK (0.45) CTSKGPR132ACEHTRA1
SCHEMBL4037811 0.89 CTSK (0.57) CTSKGPR132ACECCR1HTRA1
SCHEMBL4037490 0.89 CTSK (0.48) CTSKGPR132ACECCR1HTRA1
SCHEMBL4039803 0.88 CTSK (0.49) CTSKGPR132ACE
SCHEMBL4039065 0.88 CTSK (0.57) CTSKGPR132ACECCR1HTRA1

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-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
WO-2009028899-A1 1'-ALKYLPIPERIDINE-4'-SPIRO-2-6-(AMIDO)-2H-BENZOPYRAN DERIVATIVES HAVING ANTICANCER ACTIVITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-03-05 WO disclosed
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 2/4885GPR132 844/4885ACE 3804/4885

“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.