SCHEMBL2099719

SCHEMBL2099719

CCC(CC)(N(c1cccc2c(OC)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
HPGD P15428 4/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
ACLY P53396 1/20 0.32
FABP4 P15090 1/20 0.32

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
SCHEMBL2097979 0.94 MEN1 (0.37) KEAP1NFE2L2KMT2AMAPTALDH1A1
SCHEMBL2097982 0.85 ACP3 (0.37) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL2097955 0.84 HTT (0.40) KMT2ASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL3051590 0.83 MEN1 (0.39) KMT2AMAPTALDH1A1POLB
SCHEMBL2100857 0.83 KEAP1 (0.31) KEAP1NFE2L2MAPTALDH1A1ACLY
SCHEMBL2098368 0.80 PDE4D (0.36) KMT2ASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL2101140 0.80 ACP3 (0.34) ESR1HPGDKMT2AMAPTALDH1A1
SCHEMBL1753949 0.79 KEAP1 (0.42) ESR1HPGDKEAP1NFE2L2SMN1; SMN2
SCHEMBL2099148 0.79 ACLY (0.34) HPGDKMT2AMAPTALDH1A1POLB
SCHEMBL2099120 0.79 ACP3 (0.36) HPGDKEAP1NFE2L2KMT2AMAPT

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 ESR1 3448/4885HPGD 3202/4885KEAP1 3301/4885

“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.