SCHEMBL4040693

SCHEMBL4040693

CCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
PREP P48147 2/20 0.39
FAP Q12884 2/20 0.39
CCR1 P32246 3/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
P2RY12 Q9H244 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SLC5A7 Q9GZV3 1/20 0.34
KDM1A O60341 1/20 0.34
MMP13 P45452 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
SCHEMBL4039168 0.94 CTSK (0.43) CTSKPREPFAPCCR1P2RY12
SCHEMBL4045138 0.92 CTSK (0.42) CTSKPREPFAPCCR1MC4R
SCHEMBL4040733 0.92 CTSK (0.53) CTSKCCR1MMP2MMP9ADAM17
SCHEMBL4045351 0.91 CTSK (0.44) CTSKPREPFAPCCR1MC4R
SCHEMBL4043290 0.91 CTSK (0.42) CTSKPREPFAPCCR1MC4R
SCHEMBL4043711 0.91 CTSS (0.43) CTSKMMP2MMP9ADAM17CTSS
SCHEMBL4043416 0.90 CTSK (0.54) CTSKPREPFAPCCR1MC4R
SCHEMBL4039917 0.90 CTSK (0.45) CTSKPREPFAPCCR1MC4R
SCHEMBL4041462 0.89 CTSK (0.54) CTSKPREPFAPCCR1MC4R
SCHEMBL4042221 0.89 CTSK (0.46) CTSKPREPFAPCCR1MC4R

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 2/4885PREP 1823/4885FAP 3455/4885

“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.