SCHEMBL3028722

SCHEMBL3028722

O=P(O)(O)CN(c1ccc2ncsc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.36
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HKDC1 Q2TB90 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL10291993 0.87 ALDH1A1 (0.38) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL10261668 0.85 ALDH1A1 (0.39) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL2055490 0.82 S1PR1 (0.38) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3030208 0.81 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2055488 0.79 NPC1 (0.39) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL3033615 0.77 ALDH1A1 (0.48) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1753943 0.76 NR4A2 (0.41) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL3028126 0.75 TAS1R3 (0.36) MEN1KMT2APOLBS1PR1ALDH1A1
SCHEMBL2055471 0.75 S1PR1 (0.45) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2055486 0.73 S1PR1 (0.42) MEN1KMT2AS1PR1

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 8 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

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 NAMPT 3022/4885NPC1 4463/4885RAB9A 2539/4885

“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.