SCHEMBL4045390

SCHEMBL4045390

NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HCRTR2 O43614 1/20 0.36
KCNQ1 P51787 1/20 0.36
USP2 O75604 1/20 0.36
NAMPT P43490 1/20 0.35
FKBP1A P62942 1/20 0.35
GHSR Q92847 1/20 0.35
GAA P10253 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
SCHEMBL4047525 0.95 KDM4E (0.41) HPGDKDM4EPOLBCYP3A4CYP2C19
SCHEMBL4041446 0.87 FKBP1A (0.39) FKBP1A
SCHEMBL4039220 0.86 HSD17B10 (0.42) HPGDKDM4EPOLBHSD17B10TSHR
SCHEMBL4038375 0.86 HSD17B10 (0.42) HPGDKDM4EHSD17B10MAPK1TSHR
SCHEMBL4045013 0.85 DPP4 (0.41) HPGDKDM4EPOLBHSD17B10TSHR
SCHEMBL4043607 0.84 CTSL (0.45)
SCHEMBL4039119 0.83 DPP4 (0.48) KDM4ETSHR
SCHEMBL4043109 0.83 ALDH1A1 (0.44) KDM4EPOLBMAPK1TSHRALDH1A1
SCHEMBL4043230 0.82 CTSS (0.40) HPGDPOLB
SCHEMBL4045457 0.82 FKBP1A (0.39) CYP2C19TSHRALDH1A1FKBP1A

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 HPGD 1402/4885KDM4E 3911/4885POLB 3780/4885

“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.