SCHEMBL4115335

SCHEMBL4115335

CON=Cc1ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL12107936 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL1298904 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
Fumaric Acid SCHEMBL1300044 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
Fumaric Acid SCHEMBL1300041 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL5413798 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL4119956 0.72 KDM4E (0.33) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL29360890 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EGAALMNA
SCHEMBL6972956 0.70 CNR2 (0.40) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL4126480 0.69 MAOB (0.40) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL31237318 0.68 PTGS2 (0.38) ALDH1A1KDM4EMAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273797-B2 Treating renal cancer using 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-methyl-benzaldehyde THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-25 US disclosed
US-20090131536-A1 Treating or Preventing Renal Cancer Using a Dimethane Sulfonate GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-21 US disclosed
WO-2007044015-A1 TREATING OR PREVENTING RENAL CANCER USING A DIMETHANE SULFONATE GOVERNEMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-04-19 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-20090131536-A1 Treating or Preventing Renal Cancer Using a Dimethane Sulfonate VHL, DDX21, MGMT ALDH1A1 744/4885KDM4E 74/4885MAPT 4545/4885

“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.