SCHEMBL1541948

SCHEMBL1541948

CC(C)(C)OC(=O)C(N)Cc1ccc(OCCCCCCOc2ccc(CC(N)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.59
ITGA2B P08514 5/20 0.59
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 1/20 0.44
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL16940459 0.93 ITGB3 (0.51) ITGB3ITGA2BLTA4HS1PR4S1PR1
SCHEMBL6871466 0.90 ITGB3 (0.51) ITGB3ITGA2BLTA4HL3MBTL1S1PR4
SCHEMBL7358634 0.89 ACACB (0.50) ITGB3ITGA2BLTA4HPTPN1
SCHEMBL9995960 0.87 NPC1 (0.54) ITGB3ITGA2BS1PR4S1PR1S1PR3
SCHEMBL9995958 0.87 NPC1 (0.54) ITGB3ITGA2BS1PR4S1PR1S1PR3
SCHEMBL6286612 0.86 LTA4H (0.47) ITGB3ITGA2BLTA4HPTPN1
SCHEMBL16173552 0.86 LTA4H (0.46) ITGB3ITGA2BLTA4HPTPN1
SCHEMBL14405380 0.86 LTA4H (0.46) ITGB3ITGA2BLTA4HPTPN1
Hydrochloric Acid SCHEMBL5174869 0.85 LTA4H (0.46) ITGB3ITGA2BLTA4HPTPN1
Acetic Acid SCHEMBL6866559 0.85 ITGB3 (0.47) ITGB3ITGA2BLTA4H

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
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 US disclosed
EP-2303837-A2 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD FOR THE PREPARATION THEREOF Université Henri Poincaré Nancy 1 (FR) 2011-04-06 EP disclosed
WO-2010004231-A2 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD FOR THE PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2010-01-14 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M ITGB3 1438/4885ITGA2B 3035/4885GAA 2091/4885

“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.