SCHEMBL4046913

SCHEMBL4046913

CCCC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
ATM Q13315 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
TSHR P16473 3/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTSK P43235 3/20 0.32
KCNQ1 P51787 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL4049641 0.92 CTSK (0.40) HSD17B10GAAELOVL6HCRTR2SMYD3
SCHEMBL4051394 0.90 CTSK (0.34) PREPFAPKDM4ECTSK
SCHEMBL4051063 0.90 SMYD3 (0.36) SMYD3PREPFAPTSHRCTSK
SCHEMBL4044048 0.88 HSD17B10 (0.37) HSD17B10GAAELOVL6ATMHCRTR2
SCHEMBL4046811 0.88 CTSK (0.33) HSD17B10PREPFAPKDM4ECTSK
SCHEMBL4041999 0.87 HSD17B10 (0.36) HSD17B10GAAELOVL6SMYD3PREP
SCHEMBL4047006 0.86 HSD17B10 (0.38) HSD17B10GAAELOVL6ATMHCRTR2
SCHEMBL4048312 0.86 KCNQ1 (0.40) HSD17B10GAAELOVL6ATMTSHR
SCHEMBL4044283 0.86 CTSK (0.45) CTSKCTSLCTSS
SCHEMBL4045505 0.85 KCNQ1 (0.38) HSD17B10GAAELOVL6ATMHCRTR2

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 4 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

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 HSD17B10 1043/4885GAA 1120/4885ELOVL6 4117/4885

“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.