SCHEMBL1298937

SCHEMBL1298937

CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
ALDH1A3 P47895 4/20 0.53
ALDH3A1 P30838 3/20 0.53
CYP2A6 P11509 3/20 0.43
CYP2A13 Q16696 1/20 0.43
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 4/20 0.35
USP2 O75604 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
STS P08842 1/20 0.35
MAPT P10636 6/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GSK3B P49841 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL12782495 0.80 CNR2 (0.42) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL18992740 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGAALMNAUSP2
SCHEMBL6972956 0.80 CNR2 (0.40) ALDH1A1KDM4EGAALMNAUSP2
SCHEMBL1444357 0.80 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL1298904 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EGAALMNAUSP2
SCHEMBL29360890 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGAALMNAUSP2
SCHEMBL5413798 0.77 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL6847300 0.75 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL2708779 0.75 MAPT (0.44) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL13539287 0.75 ALDH1A1 (0.50) ALDH1A1ALDH1A3ALDH3A1CYP2A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 disclosed
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 disclosed
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 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-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 744/4885ALDH1A3 543/4885ALDH3A1 848/4885
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE GLS, MGMT, KDM5B ALDH1A1 220/4885ALDH1A3 308/4885ALDH3A1 474/4885

“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.