SCHEMBL4043614

SCHEMBL4043614

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
GPR132 Q9UNW8 4/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ACE P12821 2/20 0.37
ACACB O00763 2/20 0.36
HTRA1 Q92743 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 1/20 0.35
PTAFR P25105 1/20 0.35
PLG P00747 1/20 0.35
CCR1 P32246 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4043949 0.92 CTSK (0.53) CTSKGPR132POLBHPGDACE
SCHEMBL4039388 0.92 CTSK (0.45) CTSKGPR132CHRNB2CHRNA7CHRNA4
SCHEMBL4038809 0.91 CTSK (0.45) CTSKGPR132ACEHTRA1
SCHEMBL4042871 0.91 CTSK (0.48) CTSKGPR132ACEHTRA1PTAFR
SCHEMBL4045236 0.90 CTSK (0.47) CTSKGPR132ACEHTRA1ALDH1A1
SCHEMBL4039803 0.89 CTSK (0.49) CTSKGPR132ACE
SCHEMBL4037811 0.88 CTSK (0.57) CTSKGPR132HPGDACEHTRA1
SCHEMBL4037490 0.88 CTSK (0.48) CTSKGPR132POLBACEACACB
SCHEMBL4039065 0.88 CTSK (0.57) CTSKGPR132ACEHTRA1CHRNB2
SCHEMBL4038144 0.87 CTSK (0.45) CTSKGPR132ACEHTRA1PTAFR

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-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 844/4885POLB 3780/4885

“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.