SCHEMBL12233968

SCHEMBL12233968

N#CCNC(=O)CNC(=O)Cc1nc2ncc(Br)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 12/20 0.54
▸ HDAC8 Q9BY41 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSL P07711 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12233972 0.83 LIPG (0.72) LIPGCTSL
SCHEMBL12212119 0.82 LIPG (0.61) LIPGEGLN1
SCHEMBL12211658 0.81 LIPG (0.72) LIPGHPGDCSNK1DALDH1A1
SCHEMBL12212116 0.80 LIPG (0.62) LIPGCTSSCTSLEGLN1
SCHEMBL16125870 0.75 HSD17B10 (0.39) HDAC8HPGDNPSR1CSNK1DALDH1A1
SCHEMBL19709494 0.73 HRH3 (0.38) HDAC8HPGDNPSR1
SCHEMBL12233994 0.73 LIPG (0.58) LIPGCTSSCSNK1D
SCHEMBL12210699 0.71 MEN1 (0.48) HPGDNPSR1ALDH1A1
SCHEMBL12211890 0.70 LIPG (0.85) LIPG
SCHEMBL12234788 0.70 LIPG (1.00) LIPG

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
US-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 — — US disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 — — US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 — — US disclosed
EP-2351744-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE Shionogi & Co., Ltd. (JP) 2011-08-03 — — EP 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 (2 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-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA LIPG 1/4885HDAC8 638/4885HPGD 2971/4885
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 LIPG 1/4885HDAC8 375/4885HPGD 2392/4885

“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.

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