SCHEMBL1541945

SCHEMBL1541945

CC(C)(C)OC(=O)NCCc1ccc(OCCCCCCOc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.64
CA2 P00918 6/20 0.64
CA12 O43570 5/20 0.64
CA9 Q16790 5/20 0.64
SUCNR1 Q9BXA5 5/20 0.52
NAMPT P43490 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ACACB O00763 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL13886736 0.91 FFAR1 (0.56) CA1CA2CA12CA9KMT2A
SCHEMBL15032923 0.91 CA1 (0.59) CA1CA2CA12CA9SUCNR1
SCHEMBL19003451 0.90 ACACB (0.61) CA1CA2CA12CA9NAMPT
SCHEMBL26964370 0.90 CA1 (0.56) CA1CA2CA12CA9SUCNR1
SCHEMBL31108265 0.90 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL13886735 0.90 NPC1 (0.57) CA1CA2CA12CA9NAMPT
SCHEMBL23291262 0.89 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL23291290 0.89 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL5892281 0.89 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL23291155 0.89 CA1 (0.55) CA1CA2CA12CA9SUCNR1

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 7 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-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
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
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 CA1 642/4885CA2 208/4885CA12 357/4885

“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.