SCHEMBL4038909

SCHEMBL4038909

NC(=O)Oc1ccc(C[CH]C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.35
ESR1 P03372 1/20 0.35
F10 P00742 4/20 0.34
PARP1 P09874 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 1/20 0.32
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL4043695 0.88 ELOVL6 (0.35)
SCHEMBL4046518 0.86 ESR1 (0.31) STSESR1
SCHEMBL4044854 0.86 FKBP1A (0.37)
SCHEMBL4046219 0.83 PARP1 (0.35) F10PARP1F2PRSS1GAA
SCHEMBL4044726 0.82 PARP1 (0.34) F10PARP1F2PRSS1ALDH1A1
SCHEMBL4041682 0.81 CTSK (0.33) GAANPC1ALDH1A1
SCHEMBL4046128 0.81 KDM4E (0.36) ALDH1A1
SCHEMBL4042160 0.81 PARP1 (0.34) STSESR1F10PARP1F2
SCHEMBL4038703 0.81 PARP1 (0.36) F10PARP1F2PRSS1
SCHEMBL6211044 0.80 CTSK (0.33) PARP1GAAALDH1A1

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-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

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 STS 302/4885ESR1 527/4885F10 1200/4885

“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.