SCHEMBL2099170

SCHEMBL2099170

CCN(C(=O)c1cccc2c(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.41
ACLY P53396 1/20 0.39
S1PR1 P21453 1/20 0.39
KEAP1 Q14145 5/20 0.39
NFE2L2 Q16236 5/20 0.39
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2099895 0.90 TP53 (0.41) TP53TSHRACLYS1PR1KEAP1
SCHEMBL1110391 0.88 KEAP1 (0.53) TP53TSHRKEAP1NFE2L2
SCHEMBL1754190 0.84 CTSG (0.46) TP53ACLYKEAP1NFE2L2LMNA
SCHEMBL2055473 0.80 NSD2 (0.47) TP53KEAP1NFE2L2LMNAKMT2A
SCHEMBL2099167 0.79 GPR139 (0.42) KEAP1NFE2L2LMNASMN1; SMN2HPGD
SCHEMBL1110217 0.79 TP53 (0.41) TP53TSHRACLYS1PR1KEAP1
SCHEMBL2055474 0.78 RAB9A (0.44) TP53LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL1754451 0.78 KDM4E (0.44) ACLYS1PR1KEAP1NFE2L2LMNA
SCHEMBL13905607 0.77 KEAP1 (0.40) ACLYS1PR1KEAP1NFE2L2
SCHEMBL1753949 0.76 KEAP1 (0.42) S1PR1KEAP1NFE2L2LMNATHRB

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 TP53 4051/4885TSHR 575/4885ACLY 633/4885

“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.