SCHEMBL2098563

SCHEMBL2098563

CCC(CC)(N(c1ccc2c(C(=O)NCc3ccc(C#N)cc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
CNR2 P34972 1/20 0.38
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLA1 P09884 1/20 0.36
ELANE P08246 4/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
ABCB1 P08183 1/20 0.35
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2098617 0.91 POLB (0.38) MEN1KMT2APOLA1HDAC3HDAC4
SCHEMBL2099916 0.86 PLK1 (0.38) MEN1KMT2AMAPTL3MBTL1
SCHEMBL1754205 0.84 AKR1B1 (0.39) AKR1B1CNR2KLKB1KLK1POLA1
SCHEMBL3280423 0.83 AKR1B1 (0.38) AKR1B1CNR2KLKB1KLK1MEN1
SCHEMBL3280419 0.82 AKR1B1 (0.38) AKR1B1CNR2KLKB1KLK1MEN1
SCHEMBL2055364 0.81 AKR1B1 (0.38) AKR1B1CNR2KLKB1KLK1MEN1
SCHEMBL1320456 0.81 KEAP1 (0.43) AKR1B1CNR2KLKB1KLK1POLA1
SCHEMBL1110380 0.81 AKR1B1 (0.40) AKR1B1CNR2KLKB1KLK1POLA1
SCHEMBL12119597 0.81 AKR1B1 (0.40) AKR1B1CNR2KLKB1KLK1KMT2A
SCHEMBL2098911 0.78 NSD2 (0.43) MEN1KMT2AMAPT

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 AKR1B1 442/4885CNR2 1034/4885KLKB1 3674/4885

“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.