SCHEMBL3406286

SCHEMBL3406286

CCOC(=O)C1CC(C#N)(c2cccnc2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 5/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPEPPS P55786 1/20 0.39
HSD11B1 P28845 1/20 0.38
HTT P42858 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
TBXAS1 P24557 3/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL4356963 0.87 ALDH1A1 (0.45) ALDH1A1HTTSLC6A4L3MBTL1
SCHEMBL29460880 0.80 ADRA1A (0.41) ALDH1A1KDM4ECASP1CASP7GAA
SCHEMBL22538607 0.80 ADRA1A (0.41) ALDH1A1KDM4ECASP1CASP7GAA
SCHEMBL17443847 0.80 ADRA1A (0.41) ALDH1A1KDM4ECASP1CASP7GAA
SCHEMBL4830643 0.80 ADORA2B (0.39) ALDH1A1KDM4ECASP1CASP7MAPT
SCHEMBL4253610 0.78 PKM (0.41) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL25001783 0.77 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL11825793 0.75 PDE4B (0.43) GAA
SCHEMBL3934689 0.75 PKM (0.39) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL735539 0.74 MEN1 (0.42) ALDH1A1HTT

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
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 863/4885KDM4E 2662/4885CASP1 2420/4885

“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.