SCHEMBL2097979

SCHEMBL2097979

CCC(CC)(N(c1ccc(OC)c2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP4 P15090 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ACLY P53396 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KEAP1 Q14145 5/20 0.35
NFE2L2 Q16236 5/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
STAT6 P42226 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2099719 0.94 ESR1 (0.35) KMT2AFABP4ALDH1A1ACLYMAPT
SCHEMBL2098368 0.84 PDE4D (0.36) MEN1KMT2AALDH1A1ACLYMAPT
SCHEMBL2097982 0.83 ACP3 (0.37) MEN1KMT2AALDH1A1ACLYMAPT
SCHEMBL2097955 0.80 HTT (0.40) MEN1KMT2AALDH1A1ACLYMAPT
SCHEMBL2055492 0.79 KEAP1 (0.43) MEN1KMT2AFABP4ALDH1A1ACLY
SCHEMBL3051590 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1MAPT
SCHEMBL2100857 0.79 KEAP1 (0.31) ALDH1A1ACLYMAPTGAAKEAP1
SCHEMBL3283822 0.78 MEN1 (0.40) MEN1KMT2AFABP4ALDH1A1ACLY
SCHEMBL2101140 0.78 ACP3 (0.34) MEN1KMT2AALDH1A1ACLYMAPT
SCHEMBL2099120 0.77 ACP3 (0.36) MEN1KMT2AALDH1A1ACLYMAPT

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 MEN1 2590/4885KMT2A 494/4885FABP4 1565/4885

“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.