SCHEMBL2099167

SCHEMBL2099167

CC(NC(=O)c1cccc2c(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KCNA5 P22460 1/20 0.39
TACR3 P29371 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1110389 0.89 KEAP1 (0.53) KEAP1NFE2L2
SCHEMBL2055473 0.83 NSD2 (0.47) ALDH1A1KEAP1NFE2L2LMNAMEN1
SCHEMBL2055474 0.81 RAB9A (0.44) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL1110216 0.80 GPR139 (0.39) GPR139ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2099170 0.79 TP53 (0.44) ALDH1A1KDM4EHPGDHSD17B10KEAP1
SCHEMBL1754190 0.79 CTSG (0.46) ALDH1A1HPGDKEAP1NFE2L2SMN1; SMN2
SCHEMBL1754451 0.77 KDM4E (0.44) ALDH1A1KDM4EHPGDKEAP1NFE2L2
SCHEMBL13905607 0.76 KEAP1 (0.40) KEAP1NFE2L2
SCHEMBL1110371 0.76 LMNA (0.44) GPR139ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2055476 0.75 MAPT (0.42) ALDH1A1KDM4EHPGDKEAP1NFE2L2

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 5 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 claimed
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
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 GPR139 2477/4885ALDH1A1 468/4885KDM4E 1336/4885

“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.