SCHEMBL4047525

SCHEMBL4047525

NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CNR2 P34972 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
POLB P06746 1/20 0.36
HCRTR2 O43614 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4045390 0.95 HPGD (0.41) KDM4EHSD17B10HPGDTSHRMAPK1
SCHEMBL4039220 0.89 HSD17B10 (0.42) KDM4EHSD17B10HPGDTSHRALDH1A1
SCHEMBL4038375 0.88 HSD17B10 (0.42) KDM4EHSD17B10HPGDTSHRMAPK1
SCHEMBL4045013 0.87 DPP4 (0.41) KDM4EHSD17B10HPGDTSHRALDH1A1
SCHEMBL4045457 0.86 FKBP1A (0.39) TSHRALDH1A1SMYD3CYP2C19
SCHEMBL4039119 0.86 DPP4 (0.48) KDM4ETSHR
SCHEMBL4043109 0.85 ALDH1A1 (0.44) KDM4ETSHRMAPK1ALDH1A1POLB
SCHEMBL4048643 0.84 DPP4 (0.42) KDM4EHSD17B10HPGDTSHRALDH1A1
SCHEMBL4041646 0.84 DPP4 (0.38) KDM4EHSD17B10HPGDTSHRALDH1A1
SCHEMBL4041279 0.84 DPP4 (0.44) KDM4EHSD17B10HPGDALDH1A1POLB

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 KDM4E 3911/4885HSD17B10 1043/4885HPGD 1402/4885

“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.