SCHEMBL4039168

SCHEMBL4039168

CCCC(NC(=O)c1ccc(OC)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CDK5 Q00535 1/20 0.39
PAX8 Q06710 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KMT2A Q03164 2/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRB2 P07550 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTRA1 Q92743 4/20 0.37
TAS1R3 Q7RTX0 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
SCHEMBL4040693 0.94 CTSK (0.44) CTSKPKMPREPFAPKDM1A
SCHEMBL4045138 0.93 CTSK (0.42) CTSKRAB9ASMN1; SMN2NPC1PKM
SCHEMBL4038930 0.92 CTSK (0.52) CTSKRAB9ASMN1; SMN2NPC1PKM
SCHEMBL4045351 0.92 CTSK (0.44) CTSKSMN1; SMN2KMT2APREPFAP
SCHEMBL4043290 0.92 CTSK (0.42) CTSKPREPFAPHTRA1CCR1
SCHEMBL4043416 0.91 CTSK (0.54) CTSKSMN1; SMN2PKMKMT2APREP
SCHEMBL4039917 0.91 CTSK (0.45) CTSKPREPFAPCCR1
SCHEMBL4041462 0.90 CTSK (0.54) CTSKPREPFAPCCR1P2RY12
SCHEMBL4042221 0.90 CTSK (0.46) CTSKPREPFAPKDM1ACCR1
SCHEMBL4041220 0.90 CTSK (0.45) CTSKPREPFAP

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 2/4885RAB9A 858/4885SMN1; SMN2 3546/4885

“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.