SCHEMBL4039217

SCHEMBL4039217

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HCRTR2 O43614 1/20 0.37
HPGD P15428 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
TSHR P16473 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL4045677 0.89 HSD11B1 (0.34) SMYD3
SCHEMBL4049235 0.89 TSHR (0.38) TSHRALDH1A1KMT2A
SCHEMBL4040282 0.87 PIK3CD (0.35) GAAALDH1A1
SCHEMBL4044949 0.87 SMYD3 (0.38) TSHRSMYD3ALDH1A1
SCHEMBL4037609 0.85 CTSK (0.31) TSHR
SCHEMBL4038371 0.85 KDM4E (0.40) HSD17B10KDM4EHPGDTSHRSMYD3
SCHEMBL4041820 0.84 KDM4E (0.38) HSD17B10KDM4EHCRTR2HPGDELOVL6
SCHEMBL4041823 0.83 CTSK (0.39)
SCHEMBL4050761 0.83 PIK3CD (0.42) HPGDGAAALDH1A1
SCHEMBL4044364 0.82 AKR1C3 (0.31) TSHR

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 HSD17B10 1043/4885KDM4E 3911/4885HCRTR2 1558/4885

“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.