SCHEMBL1659490

SCHEMBL1659490

CCS(=O)(=O)c1ccc(Oc2ccc(N)c(C(=O)OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 3/20 0.44
MMP14 P50281 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
BRAF P15056 5/20 0.43
HDAC1 Q13547 5/20 0.43
RAF1 P04049 1/20 0.43
ARAF P10398 1/20 0.43

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
SCHEMBL1026723 0.82 BRAF (0.56) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL1074499 0.81 ALDH1A1 (0.52) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL1656632 0.81 TDP1 (0.57) ALDH1A1GAAMAPTHPGDPOLB
SCHEMBL2723179 0.80 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL17530348 0.79 BRAF (0.58) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL1026672 0.78 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL2454106 0.78 BRAF (0.57) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL3514118 0.76 CYP2C9 (0.64) ALDH1A1MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL13740239 0.76 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL1074406 0.75 KDM4E (0.46) ALDH1A1GAAHSD17B10KDM4EMAPT

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-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP disclosed
US-7932394-B2 1-{[5-[4-(Methylsulfonyl)phenoxy]-2-(2-pyridinyl)-1H-benzimidazol-6-yl]methyl}-5-thioxo-2-pyrrolidinone;glucokinase activator; antidiabetic agents; obesity; prevention of retinopathy, nephropathy, neurosis, ischemic cardiopathy, arteriosclerosis; antiischemic agents; cardiotonic agents MSD K.K. (JP) 2011-04-26 US disclosed
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1810969-A1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 EP 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-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives GCK, GCKR, SLC5A1 ALDH1A1 1126/4885GAA 247/4885HSD17B10 2116/4885

“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.