SCHEMBL7007380

SCHEMBL7007380

CCOC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.56
MMP13 P45452 3/20 0.56
MMP8 P22894 2/20 0.56
ADAMTS4 O75173 1/20 0.56
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MMP2 P08253 6/20 0.48
CTSL P07711 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46

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
SCHEMBL28554116 0.86 GAA (0.55) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL30988968 0.86 GAA (0.55) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL697840 0.86 MMP9 (0.74) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL5182861 0.86 MMP9 (0.74) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL255603 0.86 MMP9 (0.74) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL25961785 0.85 CA2 (0.50) MMP9MMP13MMP8TDP1GAA
SCHEMBL9272964 0.85 CA2 (0.50) MMP9MMP13MMP8TDP1GAA
Water SCHEMBL30893957 0.85 MMP9 (0.72) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL29186820 0.85 MMP9 (0.72) MMP9MMP13MMP8ADAMTS4TDP1
SCHEMBL28937664 0.85 MMP9 (0.72) MMP9MMP13MMP8ADAMTS4TDP1

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 MMP9 2827/4885MMP13 1479/4885MMP8 1663/4885

“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.