SCHEMBL3028126

SCHEMBL3028126

Cc1nc2ccc(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.36
TAS1R1 Q7RTX1 5/20 0.36
S1PR1 P21453 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CFTR P13569 3/20 0.33
PTPN22 Q9Y2R2 2/20 0.32
HCRTR2 O43614 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
MAOA P21397 1/20 0.32
CNR1 P21554 1/20 0.32
DRD1 P21728 1/20 0.32
OPRD1 P41143 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL10291700 0.88 TAS1R3 (0.35) TAS1R3TAS1R1S1PR1POLBMEN1
SCHEMBL10260898 0.86 TAS1R3 (0.34) TAS1R3TAS1R1S1PR1POLBMEN1
SCHEMBL3030208 0.80 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2055490 0.79 S1PR1 (0.38) S1PR1POLBMEN1KMT2AHCRTR2
SCHEMBL2055488 0.78 NPC1 (0.39) S1PR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3033615 0.78 ALDH1A1 (0.48) S1PR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL13940900 0.78 CFTR (0.33) TAS1R3TAS1R1S1PR1POLBMEN1
SCHEMBL2055472 0.76 CA12 (0.38) POLBKMT2ASMN1; SMN2ALDH1A1MAOA
SCHEMBL2055471 0.76 S1PR1 (0.45) S1PR1POLBMEN1KMT2AALDH1A1
SCHEMBL1753943 0.75 NR4A2 (0.41) S1PR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
EP-2185572-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS Boehringer Ingelheim International GmbH (DE) 2010-05-19 EP disclosed
WO-2009016119-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-05 WO disclosed
WO-2009016119-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-05 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-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA TAS1R3 4056/4885TAS1R1 2801/4885S1PR1 1850/4885

“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.