SCHEMBL2099009

SCHEMBL2099009

CCC(CC)(N(c1ccc2cc(-c3noc(C)n3)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.34
BDKRB1 P46663 5/20 0.34
LMNA P02545 4/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
PLK1 P53350 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
MAPK14 Q16539 1/20 0.32
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL2098962 0.85 CYP3A4 (0.38)
SCHEMBL3063234 0.85 L3MBTL1 (0.35) CA12CA1CA2CA9MAPT
SCHEMBL2055472 0.82 CA12 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL2099883 0.79 S1PR1 (0.31)
SCHEMBL2098040 0.79 BDKRB1 (0.32) MAPTBDKRB1LMNATP53
SCHEMBL2099730 0.78 PDK2 (0.33) BDKRB1LMNATSHRMAPK1HTT
SCHEMBL2055338 0.77 CA12 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL1110237 0.77 KEAP1 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL12116064 0.75 MAPT (0.38) CA12CA1CA2CA9MAPT
SCHEMBL2099401 0.75 DOT1L (0.38) MAPTLMNAPLK1HTTSMN1; SMN2

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 CA12 3686/4885CA1 3138/4885CA2 1922/4885

“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.