SCHEMBL4038375

SCHEMBL4038375

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
ELOVL6 Q9H5J4 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
DPP4 P27487 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HCRTR2 O43614 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
MAPK1 P28482 1/20 0.36

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 0.90 HSD17B10 (0.42) HSD17B10KDM4EGAAATMHPGD
SCHEMBL4045013 0.88 DPP4 (0.41) HSD17B10KDM4EGAAATMHPGD
SCHEMBL4047525 0.88 KDM4E (0.41) HSD17B10KDM4EHPGDTSHRALDH1A1
SCHEMBL4043420 0.87 SMYD3 (0.39) TSHRALDH1A1SMYD3
SCHEMBL4045390 0.86 HPGD (0.41) HSD17B10KDM4EGAAHPGDTSHR
SCHEMBL4039119 0.85 DPP4 (0.48) KDM4ETSHRDPP4
SCHEMBL4041279 0.85 DPP4 (0.44) HSD17B10KDM4EHPGDELOVL6LMNA
SCHEMBL4043109 0.84 ALDH1A1 (0.44) KDM4ETSHRDPP4ALDH1A1MAPK1
SCHEMBL4048643 0.84 DPP4 (0.42) HSD17B10KDM4EGAAHPGDTSHR
SCHEMBL4040393 0.83 CTSL (0.40) ELOVL6DPP4

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-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 HSD17B10 1043/4885KDM4E 3911/4885GAA 1120/4885

“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.