SCHEMBL6218679

SCHEMBL6218679

CCOC(=O)CC(Cc1cc(SCCc2ccc3c(n2)NCCC3)n(C)n1)c1ccc2c(c1)OCO2

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.84
ITGAV P06756 20/20 0.84
ITGB6 P18564 16/20 0.84
ITGA2B P08514 14/20 0.84
ITGB5 P18084 11/20 0.84
ITGB1 P05556 1/20 0.53

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
SCHEMBL6219316 0.92 ITGB3 (1.00) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6220938 0.90 ITGB3 (0.69) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL8348154 0.88 ITGB3 (0.86) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6221711 0.88 ITGB3 (0.86) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6220781 0.86 ITGB3 (0.85) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6223622 0.83 ITGB3 (0.86) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL5848387 0.82 ITGB3 (0.75) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6221090 0.82 ITGB3 (0.81) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6221780 0.80 ITGB3 (0.76) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6267787 0.80 ITGB3 (0.83) ITGB3ITGAVITGB6ITGA2BITGB5

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-1572691-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 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-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB3, ITGB5 ITGB3 2/4885ITGAV 4/4885ITGB6 9/4885

“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.