SCHEMBL4037490

SCHEMBL4037490

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTRA1 Q92743 1/20 0.39
POLB P06746 1/20 0.38
ACE P12821 1/20 0.38
GPR132 Q9UNW8 3/20 0.38
CCR1 P32246 2/20 0.38
PTAFR P25105 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 1/20 0.36
ACACB O00763 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
SCHEMBL4047037 0.92 CTSK (0.56) CTSKALDH1A1LMNAHTRA1POLB
SCHEMBL4045236 0.92 CTSK (0.47) CTSKALDH1A1HTRA1ACEGPR132
SCHEMBL4037811 0.91 CTSK (0.57) CTSKALDH1A1LMNAHTRA1ACE
SCHEMBL4039803 0.90 CTSK (0.49) CTSKACEGPR132
SCHEMBL4039388 0.90 CTSK (0.45) CTSKGPR132PTAFR
SCHEMBL4039065 0.90 CTSK (0.57) CTSKLMNAHTRA1ACEGPR132
SCHEMBL4038144 0.90 CTSK (0.45) CTSKHTRA1ACEGPR132CCR1
SCHEMBL4042871 0.89 CTSK (0.48) CTSKHTRA1ACEGPR132CCR1
SCHEMBL4039211 0.88 CTSK (0.48) CTSK
SCHEMBL4043614 0.88 CTSK (0.44) CTSKALDH1A1LMNAHTRA1POLB

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 2/4885ALDH1A1 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.