SCHEMBL2099401

SCHEMBL2099401

CCC(CC)(N(c1ccc2ncccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 1/20 0.36
PLK1 P53350 1/20 0.35
NAMPT P43490 3/20 0.35
RAPGEF3 O95398 1/20 0.35
BCAT1 P54687 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PABPC1 P11940 1/20 0.33

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
SCHEMBL2100987 0.93 NR4A2 (0.37) DOT1LMMP2MMP13NPC1RAB9A
SCHEMBL2098568 0.89 ATM (0.32) NPC1RAB9ABRAF
SCHEMBL2101977 0.87 CNR2 (0.40) MMP2MMP13RAB9AALDH1A1LMNA
SCHEMBL2098962 0.85 CYP3A4 (0.38)
SCHEMBL2099819 0.83 MMP2 (0.37) DOT1LMMP2MMP13NPC1RAB9A
SCHEMBL2098841 0.82 MEN1 (0.41) HTTALDH1A1POLBMEN1MAPT
SCHEMBL3051590 0.81 MEN1 (0.39) ALDH1A1HTR7HTR6POLBMEN1
SCHEMBL2099883 0.81 S1PR1 (0.31)
SCHEMBL2098016 0.80 MAPT (0.35) RAB9AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL2097962 0.79 MMP2 (0.35) DOT1LMMP2MMP13NPC1RAB9A

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 DOT1L 2160/4885MMP2 2859/4885MMP13 2713/4885

“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.