SCHEMBL1797703

SCHEMBL1797703

CS(=O)(=O)Nc1ccccc1OBOc1ccccc1NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NFE2L2 Q16236 1/20 0.46
PTGS1 P23219 4/20 0.46
PTGS2 P35354 3/20 0.46
PIN1 Q13526 1/20 0.45
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
GLO1 Q04760 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2B Q92831 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
SCHEMBL1277431 0.84 ALDH1A1 (0.44) KEAP1L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL6378390 0.82 PTGS1 (0.56) KEAP1L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL4860020 0.81 PTGS1 (0.63) L3MBTL1KDM4EHPGDALDH1A1PTGS1
SCHEMBL7686772 0.81 TSHR (0.38) ALDH1A1PTGS1PTGS2KMT2ASLC22A12
SCHEMBL11223913 0.79 KEAP1 (0.50) KEAP1L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL2068498 0.77 KEAP1 (0.65) KEAP1L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL29904739 0.77 KEAP1 (0.65) KEAP1L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL8719438 0.76 PTGS2 (0.68) KEAP1L3MBTL1KDM4EHPGDPTGS1
SCHEMBL3405309 0.76 CYP19A1 (0.56) KEAP1L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL12355350 0.76 KEAP1 (0.47) KEAP1L3MBTL1KDM4EHPGDALDH1A1

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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KEAP1 3564/4885L3MBTL1 4300/4885KDM4E 2796/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 KEAP1 3564/4885L3MBTL1 4300/4885KDM4E 2796/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KEAP1 3564/4885L3MBTL1 4300/4885KDM4E 2796/4885

“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.