SCHEMBL4040980

SCHEMBL4040980

CC(C)CC(CC(=O)N1CCC2C=CC=CC2C1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.34
CTSK P43235 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
NAMPT P43490 3/20 0.32
P2RX7 Q99572 1/20 0.31
IDH1 O75874 2/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL4045785 0.96 CTSK (0.36) PAX8CTSKGABRA1GABRG2GABRB3
SCHEMBL4039911 0.87 FKBP1A (0.34)
SCHEMBL4039978 0.86 CHRM1 (0.41) PAX8CTSKFNTAFNTBTNKS
SCHEMBL4041131 0.86 PAX8 (0.38) PAX8CTSKGABRA1GABRG2GABRB3
SCHEMBL4040529 0.86 ALDH1A1 (0.41) PAX8CTSKFNTAFNTBTNKS
SCHEMBL4044040 0.85 HSD17B10 (0.35) CTSK
SCHEMBL4043201 0.84 KDM4E (0.40) CTSKFNTAFNTB
SCHEMBL4040737 0.84 ALDH1A1 (0.48) CTSKFNTAFNTB
SCHEMBL4043184 0.83 CTSK (0.33) CTSK
SCHEMBL4039288 0.83 FKBP1A (0.35)

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 PAX8 442/4885CTSK 2/4885GABRA1 4194/4885

“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.