SCHEMBL6489612

SCHEMBL6489612

CCCCCCCCCCCCCCCCCCN1CCN(C(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.54
HRH3 Q9Y5N1 1/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
PIM1 P11309 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
PARP1 P09874 2/20 0.47
HPGD P15428 1/20 0.47
IGF1R P08069 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
DYRK1A Q13627 1/20 0.45

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
SCHEMBL6490414 0.90 CDK5 (0.51) PLA2G2AHRH3CDK5CDK5R1PIM1
SCHEMBL6566902 0.81 PLA2G2A (0.57) PLA2G2ACA12CA1CA2CA9
SCHEMBL4381167 0.75 GPR183 (0.53) PLA2G2ACA12CA1CA2CA9
SCHEMBL10722011 0.75 SIGMAR1 (0.70) PLA2G2ACA12CA1CA2CA9
SCHEMBL10723980 0.75 SIGMAR1 (0.70) PLA2G2ACA12CA1CA2CA9
SCHEMBL10724043 0.75 SIGMAR1 (0.70) PLA2G2ACA12CA1CA2CA9
SCHEMBL6487427 0.75 PLA2G2A (0.55) PLA2G2AHRH3CA12CA1CA2
SCHEMBL19562089 0.74 CA12 (0.58) PLA2G2ACA12CA1CA2CA9
SCHEMBL16980657 0.74 SIGMAR1 (0.72) PLA2G2A
SCHEMBL6488394 0.73 PLA2G2A (0.60) PLA2G2AHRH3CA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456186-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A SB 2 /SB PHOSPHOLIPASE OF GROUP II Yang Ji Chemical Company Ltd. (KR) 2004-09-15 EP claimed
WO-2003048139-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A2 PHOSPHOLIPASE OF GROUP II YANG JI CHEMICAL COMPANY LTD. (KR) 2003-06-12 WO claimed
US-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II YANG JI CHEMICAL COMPANY LTD. (KR) 2005-04-07 US disclosed
EP-1456186-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A SB 2 /SB PHOSPHOLIPASE OF GROUP II Yang Ji Chemical Company Ltd. (KR) 2004-09-15 EP disclosed
WO-2003048139-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A2 PHOSPHOLIPASE OF GROUP II YANG JI CHEMICAL COMPANY LTD. (KR) 2003-06-12 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-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II AMY2A, PNLIP, IAPP PLA2G2A 35/4885HRH3 3475/4885CDK5 1114/4885

“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.