SCHEMBL7006306

SCHEMBL7006306

CCCCOC(=O)N[C@@H](CCC(=O)O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NOD1 Q9Y239 3/20 0.45
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G2C Q5R387 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FOLH1 Q04609 6/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL6168369 1.00 KMT2A (0.49) KMT2APOLBL3MBTL1NOD1MAPK1
SCHEMBL14744557 0.88 KMT2A (0.64) KMT2APOLBL3MBTL1NOD1MAPK1
SCHEMBL7447157 0.88 FOLH1 (0.51) NOD1ITGB3ITGA2BFOLH1
SCHEMBL4685971 0.85 SIRT2 (0.43) NOD1SMN1; SMN2PLA2G2CITGB3ITGA2B
SCHEMBL4365404 0.85 CTSK (0.45) NOD1PLA2G2CITGB3ITGA2BFOLH1
SCHEMBL2014739 0.85 CTSK (0.45) NOD1PLA2G2CITGB3ITGA2BFOLH1
SCHEMBL8593917 0.84 KMT2A (0.43) KMT2APOLBL3MBTL1NOD1MAPK1
SCHEMBL16124669 0.84 NOD1 (0.51) NOD1PLA2G2CITGB3ITGA2BFOLH1
SCHEMBL14744559 0.83 FOLH1 (0.42) L3MBTL1NOD1SMN1; SMN2PLA2G2CITGB3
SCHEMBL18609110 0.83 FOLH1 (0.53) KMT2APOLBL3MBTL1NOD1PLA2G2C

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-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 US disclosed
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB KMT2A 4716/4885POLB 3718/4885L3MBTL1 4158/4885

“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.