SCHEMBL1112019

SCHEMBL1112019

CC(C)(C)OC(=O)Nc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
CYP17A1 P05093 1/20 0.44
CNR1 P21554 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 3/20 0.43
USP2 O75604 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1540032 0.81 HDAC3 (0.49) MAPTALOX15TSHRGPR119CNR1
SCHEMBL1540031 0.81 MAPT (0.43) MAPTALOX15TSHRGPR119CNR1
SCHEMBL24289285 0.80 GPR119 (0.50) MAPTGPR119MEN1USP2KMT2A
SCHEMBL16675698 0.80 GPR119 (0.47) MAPTALOX15TSHRGPR119CYP17A1
SCHEMBL12027633 0.79 MCHR1 (0.47) GPR119HCRTR1HCRTR2BRD4
SCHEMBL8471288 0.78 GPR119 (0.57) MAPTALOX15TSHRGPR119MEN1
SCHEMBL29029431 0.78 HDAC3 (0.56) MAPTCYP17A1HDAC3HDAC1HDAC2
SCHEMBL27292734 0.77 NAMPT (0.49) MAPTTSHRGPR119MEN1USP2
SCHEMBL1968536 0.76 DDB1 (0.45) CYP17A1ATMHDAC3HDAC1HDAC2
SCHEMBL22570944 0.75 NOTUM (0.50) CYP17A1ATMMEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 MAPT 4404/4885ALOX15 3279/4885TSHR 4370/4885

“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.