SCHEMBL2098568

SCHEMBL2098568

CCC(CC)(N(c1ccc2nccnc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
TGFBR1 P36897 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.31
BRAF P15056 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
SCHEMBL2099401 0.89 DOT1L (0.38) NPC1RAB9ABRAF
SCHEMBL2100987 0.88 NR4A2 (0.37) ATMNPC1RAB9A
SCHEMBL2101830 0.81 MEN1 (0.31)
SCHEMBL2098962 0.80 CYP3A4 (0.38)
SCHEMBL2101977 0.79 CNR2 (0.40) RAB9A
SCHEMBL2099883 0.79 S1PR1 (0.31) S1PR1
SCHEMBL3051590 0.78 MEN1 (0.39)
SCHEMBL2055490 0.77 S1PR1 (0.38) ATMNPC1RAB9AS1PR1
SCHEMBL1754859 0.75 S1PR1 (0.37) ATMNPC1RAB9AS1PR1
SCHEMBL1754860 0.75 ALDH1A1 (0.35) ATMNPC1RAB9AS1PR1

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 ATM 1814/4885TGFBR1 1799/4885NPC1 3111/4885

“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.