SCHEMBL4119956

SCHEMBL4119956

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PGR P06401 4/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2D6 P10635 2/20 0.31
KCNH2 Q12809 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
NR3C1 P04150 2/20 0.31
TSHR P16473 2/20 0.31
AR P10275 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR3C2 P08235 1/20 0.30
USP2 O75604 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
SCHEMBL3413745 0.77 AR (0.49) PGRSLC22A12AR
SCHEMBL1298904 0.77 ALDH1A1 (0.40) KDM4EMEN1MAPTKMT2ATSHR
SCHEMBL6972956 0.73 CNR2 (0.40) KDM4EMAPTKMT2ANR3C1TSHR
SCHEMBL4126480 0.73 MAOB (0.40) KDM4EMEN1MAPTKMT2AKCNH2
SCHEMBL11059504 0.73 S100B (0.55) KDM4EMEN1MAPTKMT2ATSHR
SCHEMBL17610661 0.73 MRGPRX4 (0.43) MRGPRX4PGRKCNH2NR3C1TSHR
SCHEMBL4115335 0.72 ALDH1A1 (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12107936 0.72 ALDH1A1 (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL18992740 0.70 ALDH1A1 (0.38) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL12782495 0.70 CNR2 (0.42) KDM4ETSHRALDH1A1LMNAUSP2

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-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-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
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 KDM4E 74/4885MEN1 288/4885MAPT 4545/4885
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE GLS, MGMT, KDM5B KDM4E 22/4885MEN1 1667/4885MAPT 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.