SCHEMBL7015589

SCHEMBL7015589

CCOC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1c(C)noc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NR3C2 P08235 2/20 0.40
NR3C1 P04150 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ACLY P53396 1/20 0.39
KMT2A Q03164 1/20 0.38
ITGAV P06756 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL7120652 0.85 POLB (0.41) ITGB3ITGA2BPOLBALDH1A1TSHR
SCHEMBL7008707 0.84 POLB (0.45) ITGB3ITGA2BPOLBALDH1A1TSHR
SCHEMBL7012078 0.75 ITGB3 (0.47) ITGB3ITGA2BALDH1A1TSHRNR3C2
SCHEMBL7008714 0.74 ITGB3 (0.49) ITGB3ITGA2BPOLBALDH1A1TSHR
SCHEMBL7007380 0.73 MMP9 (0.56) ALDH1A1LMNANPSR1KMT2AGAA
Hydrochloric Acid SCHEMBL7522429 0.70 ALDH1A1 (0.50) ITGB3ITGA2BPOLBALDH1A1TSHR
SCHEMBL7008711 0.69 ALDH1A1 (0.44) ITGB3ITGA2BPOLBALDH1A1TSHR
SCHEMBL7661122 0.69 NR3C2 (0.40) ITGB3ITGA2BPOLBALDH1A1TSHR
SCHEMBL12000924 0.68 KMT2A (0.56) POLBALDH1A1TSHRMAPTLMNA
SCHEMBL7016778 0.68 ITGB3 (0.48) ITGB3ITGA2BPOLBKMT2AITGAV

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 ITGB3 139/4885ITGA2B 90/4885POLB 3718/4885

“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.