SCHEMBL1298904

SCHEMBL1298904

Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
S100B P04271 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
Fumaric Acid SCHEMBL1300044 0.92 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTGAAKDM4E
Fumaric Acid SCHEMBL1300041 0.92 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL5413798 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL12107936 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL4115335 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL1298937 0.78 ALDH1A1 (0.53) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL11696664 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL11340079 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL4119956 0.77 KDM4E (0.33) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8024385 0.76 MAPT (0.46) ALDH1A1L3MBTL1MAPTGAAKDM4E

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 24 patents — showing the first 20. 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 claimed
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE HEALTH AND HUMAN SERVICES 2011-11-03 US claimed
US-7989501-B2 Treating renal cancer using a 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-benzaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-08-02 US claimed
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 claimed
WO-2007044015-A9 TREATING OR PREVENTING RENAL CANCER USING A DIMETHANE SULFONATE US GOV HEALTH & HUMAN SERV (US) 2007-05-31 WO claimed
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 claimed
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-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-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-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-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE HEALTH AND HUMAN SERVICES 2011-11-03 US disclosed
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE HEALTH AND HUMAN SERVICES 2011-11-03 US disclosed
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE HEALTH AND HUMAN SERVICES 2011-11-03 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
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
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-A9 TREATING OR PREVENTING RENAL CANCER USING A DIMETHANE SULFONATE US GOV HEALTH & HUMAN SERV (US) 2007-05-31 WO disclosed
WO-2007044015-A9 TREATING OR PREVENTING RENAL CANCER USING A DIMETHANE SULFONATE US GOV HEALTH & HUMAN SERV (US) 2007-05-31 WO 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
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 (2 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 744/4885L3MBTL1 3870/4885MAPT 4545/4885
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE GLS, MGMT, KDM5B ALDH1A1 220/4885L3MBTL1 1477/4885MAPT 4613/4885

“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.