SCHEMBL3058248

SCHEMBL3058248

Nc1ccc2cc(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
PTPN22 Q9Y2R2 2/20 0.33
MCL1 Q07820 3/20 0.32
PGR P06401 1/20 0.32
NSD2 O96028 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
CASP6 P55212 1/20 0.32
PTPN11 Q06124 1/20 0.32
NT5E P21589 1/20 0.32
BCL2L1 Q07817 2/20 0.31
NR3C1 P04150 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL2055471 0.88 S1PR1 (0.45) S1PR1MCL1PGRBCL2L1
SCHEMBL13905596 0.86 S1PR1 (0.34) S1PR1MCL1PGRBCL2L1HCRTR2
SCHEMBL2055449 0.83 S1PR1 (0.35) S1PR1PGRNR3C1HCRTR2
SCHEMBL2055477 0.80 CYP3A4 (0.41) S1PR1PTPN22MCL1PGR
SCHEMBL3021280 0.80 PER2 (0.39) S1PR1
SCHEMBL3040300 0.79 ESR1 (0.39) S1PR1
SCHEMBL4239508 0.79 KEAP1 (0.44) S1PR1
SCHEMBL1754307 0.79 MAPT (0.46) S1PR1
SCHEMBL2055488 0.78 NPC1 (0.39) S1PR1
SCHEMBL3034614 0.78 S1PR1 (0.30) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 S1PR1 148/4885PTPN22 123/4885MCL1 3305/4885

“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.