SCHEMBL4126480

SCHEMBL4126480

CCOC(=O)c1ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL1543408 0.84 HPGD (0.50) TSHRSMN1; SMN2RECQLGAACA12
SCHEMBL27714618 0.80 MAOB (0.58) MAOBTSHRSMN1; SMN2GAACA12
SCHEMBL1298904 0.74 ALDH1A1 (0.40) TSHRSMN1; SMN2GAAKMT2AMEN1
SCHEMBL4119956 0.73 KDM4E (0.33) TSHRSMN1; SMN2KMT2AMEN1KCNH2
Fumaric Acid SCHEMBL1300044 0.72 ALDH1A1 (0.35) SMN1; SMN2GAAKMT2AMEN1MAPT
SCHEMBL28526673 0.71 TSHR (0.49) TSHRRECQLGAACA12CA1
SCHEMBL6972956 0.70 CNR2 (0.40) TSHRSMN1; SMN2GAAKMT2AMAPT
SCHEMBL9248362 0.69 EGFR (0.47) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL12107936 0.69 ALDH1A1 (0.36) SMN1; SMN2GAAKMT2AMEN1MAPT
SCHEMBL4115335 0.69 ALDH1A1 (0.36) SMN1; SMN2GAAKMT2AMEN1MAPT

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 12 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-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 MAOB 3466/4885TSHR 4527/4885SMN1; SMN2 1981/4885
US-20110269840-A1 TREATING RENAL CANCER USING A 4-[BIS[2-[(METHYLSULFONYL)OXY]ETHYL]AMINO]-2-METHYL-BENZALDEHYDE GLS, MGMT, KDM5B MAOB 1312/4885TSHR 4749/4885SMN1; SMN2 1904/4885

“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.