SCHEMBL2098098

SCHEMBL2098098

CCOP(=O)(CN(c1c(C(=N)NO)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MMP1 P03956 5/20 0.32
MMP13 P45452 4/20 0.32
ADAM17 P78536 4/20 0.32
MMP9 P14780 4/20 0.31
MMP3 P08254 2/20 0.31
KAT6A Q92794 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2055348 0.87 HPGD (0.33) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL2055398 0.86 ACLY (0.34) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL2055386 0.86 S1PR1 (0.36) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL2055399 0.86 S1PR1 (0.34) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL2055394 0.85 POLB (0.39) HPGDALDH1A1LMNAKDM4EMEN1
SCHEMBL2055344 0.85 S1PR1 (0.32) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL2055381 0.85 S1PR1 (0.37) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL2055365 0.84 S1PR1 (0.36) HPGDALDH1A1THRBL3MBTL1S1PR1
SCHEMBL13905585 0.83 S1PR1 (0.35) HPGDS1PR1NR1I2LMNAKDM4E
SCHEMBL2098683 0.83 KEAP1 (0.33) HPGDALDH1A1THRBL3MBTL1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
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

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 HPGD 3202/4885ALDH1A1 468/4885THRB 2319/4885

“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.