SCHEMBL4184902

SCHEMBL4184902

CCOP(=O)(C=CC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC(=O)OC(C)(C)C)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
TSHR P16473 3/20 0.35
PTPN1 P18031 1/20 0.35
CTSK P43235 5/20 0.35
CTSS P25774 3/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
AGTR1 P30556 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34

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
SCHEMBL4184897 1.00 ITGB3 (0.40) ITGB3ITGA2BALDH1A1HDAC8TSHR
SCHEMBL13080807 0.85 PPARA (0.43) ITGB3ITGA2BALDH1A1TSHRCTSK
SCHEMBL4179198 0.84 LPAR3 (0.49) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4178943 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4187807 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4195121 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4185123 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4190836 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4187715 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3
SCHEMBL4190739 0.84 LPAR3 (0.50) ITGB3ITGA2BLPAR1LPAR3

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-8283339-B2 Vinyl phosphonate lysophosphatidic acid receptor antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-09 US disclosed
US-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-08-06 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-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR4, LPAR5 ITGB3 2491/4885ITGA2B 1892/4885ALDH1A1 3714/4885

“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.