SCHEMBL938115

SCHEMBL938115

CCOC(=O)CN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BDKRB1 P46663 13/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1936190 0.90 MEN1 (0.45) MEN1KMT2ABDKRB1CYP3A4USP2
SCHEMBL937908 0.86 MEN1 (0.48) MEN1KMT2ABDKRB1SMN1; SMN2USP2
SCHEMBL1936197 0.85 MEN1 (0.46) MEN1KMT2ABDKRB1SMN1; SMN2USP2
SCHEMBL1936191 0.82 KMT2A (0.45) MEN1KMT2ABDKRB1ALDH1A1CYP3A4
SCHEMBL2236993 0.82 USP2 (0.43) MEN1KMT2ABDKRB1ALDH1A1USP2
SCHEMBL13232806 0.81 BDKRB1 (0.44) MEN1KMT2ABDKRB1SMN1; SMN2TSHR
SCHEMBL2205403 0.80 BDKRB1 (0.47) MEN1KMT2ABDKRB1
SCHEMBL2236584 0.80 MEN1 (0.41) MEN1KMT2ABDKRB1SMN1; SMN2USP2
SCHEMBL2236591 0.80 MEN1 (0.41) MEN1KMT2ABDKRB1USP2MAPT
SCHEMBL2236595 0.80 MEN1 (0.41) MEN1KMT2ABDKRB1SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 MEN1 864/4885KMT2A 3434/4885BDKRB1 1/4885

“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.