SCHEMBL2055404

SCHEMBL2055404

CCOP(=O)(CN(c1ccc2cccnc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
S1PR1 P21453 1/20 0.35
GPR55 Q9Y2T6 5/20 0.34
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
UTRN P46939 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
LMNA P02545 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 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
SCHEMBL2055379 0.93 DOT1L (0.38) S1PR1HCRTR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL2055376 0.88 S1PR1 (0.35) S1PR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL1753943 0.85 NR4A2 (0.41) NR4A2S1PR1GPR55ALDH1A1LOXL2
SCHEMBL2055363 0.85 CYP3A4 (0.38) S1PR1HCRTR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL2055378 0.82 RAB9A (0.41) S1PR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2055369 0.81 MEN1 (0.42) S1PR1ALDH1A1LMNA
SCHEMBL2055387 0.81 SLC40A1 (0.35) ALDH1A1SMN1; SMN2LMNA
SCHEMBL2055368 0.80 NR3C1 (0.39) S1PR1LMNA
SCHEMBL2055449 0.80 S1PR1 (0.35) S1PR1HCRTR2LMNA
SCHEMBL10260047 0.80 ALDH1A1 (0.45) S1PR1HCRTR2ALDH1A1SMN1; SMN2LMNA

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 7 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-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-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
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
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
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 WO 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 NR4A2 2265/4885S1PR1 148/4885GPR55 887/4885

“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.