SCHEMBL6287557

SCHEMBL6287557

CCOC(=O)[C@H](Cc1ccc(OCCCC(C)=O)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.61
ITGA2B P08514 13/20 0.61
ITGAV P06756 1/20 0.54
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TACR1 P25103 1/20 0.50

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
SCHEMBL6221346 0.91 ITGB3 (0.74) ITGB3ITGA2BITGAVALDH1A1ALOX15
SCHEMBL8366724 0.88 GAA (0.61) ITGB3ITGA2BALDH1A1ALOX15HDAC8
SCHEMBL4830419 0.86 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6440663 0.84 CTSL (0.64) ALDH1A1ALOX15TACR1
SCHEMBL6440666 0.84 CTSL (0.64) ALDH1A1ALOX15TACR1
SCHEMBL3131881 0.84 ITGB3 (0.67) ITGB3ITGA2BITGAVALDH1A1ALOX15
SCHEMBL14370509 0.84 ATM (0.60) ITGB3ITGA2BALDH1A1ALOX15HDAC8
SCHEMBL5175372 0.84 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6341457 0.83 ITGB3 (0.51) ITGB3ITGA2BITGAVHDAC8
SCHEMBL11199738 0.82 CTSL (0.62) ALDH1A1ALOX15TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838453-B2 Antagonist derivatives of the vitronectin receptor AVENTIS PHARMA S.A. (FR) 2005-01-04 US disclosed
US-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR AVENTIS PHARMA S.A. (FR) 2004-11-11 US 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-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR ADGRF1, BDKRB1, ADGRE5 ITGB3 220/4885ITGA2B 117/4885ITGAV 296/4885

“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.