SCHEMBL4038144

SCHEMBL4038144

C=Cc1ccc(C(=O)NC(CCC)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
ACE P12821 2/20 0.37
GPR132 Q9UNW8 3/20 0.37
HTRA1 Q92743 1/20 0.35
CCR1 P32246 2/20 0.35
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
PTAFR P25105 1/20 0.34
TGM2 P21980 2/20 0.34
PAX8 Q06710 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
SCHEMBL4040004 0.92 CTSK (0.54) CTSKTAS1R3TAS1R1ACEHTRA1
SCHEMBL4045236 0.91 CTSK (0.47) CTSKACEGPR132HTRA1CCR1
SCHEMBL4037811 0.90 CTSK (0.57) CTSKACEGPR132HTRA1CCR1
SCHEMBL4037490 0.90 CTSK (0.48) CTSKACEGPR132HTRA1CCR1
SCHEMBL4039388 0.89 CTSK (0.45) CTSKGPR132PTAFR
SCHEMBL4039065 0.89 CTSK (0.57) CTSKACEGPR132HTRA1CCR1
SCHEMBL4039803 0.89 CTSK (0.49) CTSKACEGPR132
SCHEMBL4039211 0.89 CTSK (0.48) CTSK
SCHEMBL4042871 0.88 CTSK (0.48) CTSKACEGPR132HTRA1CCR1
SCHEMBL4043614 0.87 CTSK (0.44) CTSKACEGPR132HTRA1CCR1

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 5 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
WO-2009029235-A2 PEPTIDES AND PROTEINS FOR EARLY LIVER DEVELOPMENT AND ANITIBODIES THERETO, AND THEIR USE IN THERAPEUTIC DIAGNOSIS AND TREATMENT CERNETICS, LLC (US) 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

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 2/4885TAS1R3 2219/4885TAS1R1 2032/4885

“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.