SCHEMBL4045013

SCHEMBL4045013

CC(C)(C)CC(N)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 2/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36
HCRTR2 O43614 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
GAA P10253 1/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL4039220 0.89 HSD17B10 (0.42) DPP4KDM4EHSD17B10HPGDTSHR
SCHEMBL4038375 0.88 HSD17B10 (0.42) DPP4KDM4EHSD17B10HPGDTSHR
SCHEMBL4047525 0.87 KDM4E (0.41) KDM4EHSD17B10CNR2HPGDTSHR
SCHEMBL4044950 0.87 DPP4 (0.39) DPP4TSHRSMYD3ALDH1A1
SCHEMBL4045390 0.85 HPGD (0.41) KDM4EHSD17B10HPGDTSHRHCRTR2
SCHEMBL4039119 0.84 DPP4 (0.48) DPP4KDM4ETSHR
SCHEMBL4041279 0.84 DPP4 (0.44) DPP4KDM4EHSD17B10HPGDELOVL6
SCHEMBL4038870 0.84 CTSK (0.45) DPP4
SCHEMBL4043109 0.83 ALDH1A1 (0.44) DPP4KDM4ETSHRPOLBALDH1A1
SCHEMBL4046534 0.83 ALDH1A1 (0.35) KDM4EHSD17B10CNR2HPGDTSHR

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 DPP4 3448/4885KDM4E 3911/4885HSD17B10 1043/4885

“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.