SCHEMBL2099730

SCHEMBL2099730

CCC(CC)(N(c1cccc2c(-c3noc(C)n3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ELANE P08246 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BDKRB1 P46663 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL3063234 0.87 L3MBTL1 (0.35) LMNATP53TSHRMAPK1BDKRB1
SCHEMBL2098040 0.85 BDKRB1 (0.32) PDK2LMNATP53BDKRB1
SCHEMBL2055479 0.82 PDK2 (0.33) PDK2LMNATP53ELANETSHR
SCHEMBL2097982 0.81 ACP3 (0.37) LMNAALDH1A1HTTKMT2A
SCHEMBL2099009 0.78 CA12 (0.36) LMNATP53TSHRMAPK1BDKRB1
SCHEMBL2097955 0.78 HTT (0.40) LMNAL3MBTL1ALDH1A1HTTKMT2A
SCHEMBL2099719 0.78 ESR1 (0.35) LMNAALDH1A1POLBKMT2A
SCHEMBL2101140 0.78 ACP3 (0.34) LMNAALDH1A1HTTKMT2A
SCHEMBL2055335 0.78 S1PR1 (0.32) TSHRMAPK1L3MBTL1
SCHEMBL3068388 0.78 TRPM8 (0.31) LMNATSHRALDH1A1KMT2A

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 PDK2 380/4885LMNA 2804/4885TP53 4051/4885

“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.