SCHEMBL5042900

SCHEMBL5042900

COCCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(N(C)C(=O)O)nc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
KMT2A Q03164 3/20 0.35
ENPP1 P22413 5/20 0.34
ENPP3 O14638 3/20 0.34
ENPP2 Q13822 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTBP1 P26599 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.33
ITK Q08881 1/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5036256 0.95 MET (0.37) METCDK9KMT2AENPP1ENPP3
SCHEMBL5041060 0.91 ACE2 (0.35) METCDK9KMT2AENPP1ENPP3
SCHEMBL5033719 0.89 MAPT (0.35) KMT2AENPP1ENPP3ENPP2SMN1; SMN2
SCHEMBL5036815 0.89 ENPP1 (0.35) KMT2AENPP1ENPP3ENPP2SMN1; SMN2
SCHEMBL5140564 0.89 ACE2 (0.33) METCDK9KMT2AENPP1ENPP3
SCHEMBL5033506 0.88 RORC (0.39) KMT2AENPP1ENPP3ENPP2MEN1
SCHEMBL6017783 0.88 CA1 (0.37) KMT2ASMN1; SMN2LMNAMEN1MAPT
SCHEMBL5041026 0.86 MEN1 (0.37) METCDK9KMT2AENPP1ENPP3
SCHEMBL6018087 0.86 EGFR (0.35) KMT2AENPP1ENPP3ENPP2SMN1; SMN2
SCHEMBL5036159 0.85 ALDH1A1 (0.35) KMT2AENPP1ENPP3ENPP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO disclosed
EP-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 MET 294/4885CDK9 136/4885KMT2A 2114/4885

“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.