SCHEMBL3064033

SCHEMBL3064033

CCC(CC)(N(c1cccc2cncnc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGA4 P13612 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
GRM4 Q14833 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2098841 0.87 MEN1 (0.41) MEN1POLBKMT2ATSHR
SCHEMBL2098702 0.83 POLB (0.36) MEN1POLBKMT2AITGA4LMNA
SCHEMBL2101830 0.82 MEN1 (0.31) MEN1POLBKMT2A
SCHEMBL2097960 0.81 MEN1 (0.34) MEN1KMT2A
SCHEMBL3068388 0.81 TRPM8 (0.31) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL2097982 0.81 ACP3 (0.37) MEN1KMT2AITGA4LMNA
SCHEMBL1754210 0.79 MEN1 (0.35) MEN1POLBKMT2ATRPV1GRM4
SCHEMBL2101977 0.79 CNR2 (0.40) POLBKMT2ATRPV1LMNATSHR
SCHEMBL2099777 0.78 GRM5 (0.33) LMNATSHRSMN1; SMN2
SCHEMBL3277703 0.78 MEN1 (0.35) MEN1POLBKMT2AITGA4TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2590/4885POLB 4238/4885KMT2A 494/4885

“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.