SCHEMBL2098702

SCHEMBL2098702

CCC(CC)(N(c1cccc2ccc(C)nc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 2/20 0.33
ITGA4 P13612 1/20 0.33
GLO1 Q04760 2/20 0.33
ACLY P53396 1/20 0.33
AGTR1 P30556 1/20 0.33
PAX8 Q06710 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
METAP2 P50579 1/20 0.32
THRB P10828 2/20 0.32
MAPT P10636 1/20 0.32
NFKBIA P25963 1/20 0.32
RELA Q04206 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 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
SCHEMBL2098841 0.87 MEN1 (0.41) POLBKDM4ETP53SLC40A1MEN1
SCHEMBL3064033 0.83 MEN1 (0.31) POLBSMN1; SMN2ITGA4MEN1KMT2A
SCHEMBL3068388 0.83 TRPM8 (0.31) SMN1; SMN2MEN1KMT2ATDP1LMNA
SCHEMBL2097982 0.83 ACP3 (0.37) KDM4EITGA4ACLYMEN1KMT2A
SCHEMBL2101830 0.81 MEN1 (0.31) POLBACLYMEN1KMT2A
SCHEMBL2101813 0.81 ITGA4 (0.33) TP53ITGA4ACLYTHRBMAPT
SCHEMBL2055496 0.80 POLB (0.37) POLBSMN1; SMN2KDM4ETP53ITGA4
SCHEMBL2098296 0.80 TRPV1 (0.34) POLBKDM4EMEN1KMT2ATHRB
SCHEMBL2101140 0.79 ACP3 (0.34) KDM4EACLYMEN1KMT2AMAPT
SCHEMBL2098016 0.79 MAPT (0.35) POLBSMN1; SMN2KDM4ETP53SLC40A1

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 POLB 4238/4885SMN1; SMN2 2062/4885KDM4E 1336/4885

“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.