SCHEMBL12423987

SCHEMBL12423987

CNC(Cc1ccc(OCc2ccccn2)cc1)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
PARP10 Q53GL7 1/20 0.52
GPR132 Q9UNW8 1/20 0.52
LPAR3 Q9UBY5 3/20 0.51
ACACB O00763 1/20 0.49
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ENPP2 Q13822 1/20 0.48
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 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
SCHEMBL464460 1.00 MAOB (0.57) MAOBPARP10GPR132LPAR3ACACB
SCHEMBL11982009 0.88 MAOB (0.58) MAOBPARP10GPR132LPAR3ACACB
SCHEMBL10285316 0.88 MAOB (0.58) MAOBPARP10GPR132LPAR3ACACB
SCHEMBL13840605 0.88 MAOB (0.58) MAOBPARP10GPR132LPAR3ACACB
SCHEMBL13013217 0.83 PPARG (0.62) MAOBPTGS1PPARGMMP9MMP8
SCHEMBL684726 0.83 PPARG (0.62) MAOBPTGS1PPARGMMP9MMP8
SCHEMBL13227760 0.83 PPARG (0.62) MAOBPTGS1PPARGMMP9MMP8
SCHEMBL17642097 0.81 PTPRA (0.53) ALDH1A1SMN1; SMN2TSHRLMNAALOX15
SCHEMBL15075315 0.81 PTPRA (0.53) ALDH1A1SMN1; SMN2TSHRLMNAALOX15
SCHEMBL423273 0.80 MAOB (0.57) MAOBPARP10GPR132LPAR3ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 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 (3 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MAOB 1859/4885PARP10 3864/4885GPR132 3093/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MAOB 1859/4885PARP10 3864/4885GPR132 3093/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MAOB 1859/4885PARP10 3864/4885GPR132 3093/4885

“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.