SCHEMBL2055447

SCHEMBL2055447

Cc1cnc2cccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ACLY P53396 2/20 0.46
CYP3A4 P08684 2/20 0.45
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
MET P08581 1/20 0.42
CLK1 P49759 1/20 0.42
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MAPK10 P53779 2/20 0.41
MEN1 O00255 1/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL2055442 0.81 KDM4E (0.46) ACLYCYP3A4EDNRBEDNRACYP2D6
SCHEMBL2055416 0.81 CLK1 (0.62) SLC40A1HTTSMN1; SMN2CYP3A4EDNRB
SCHEMBL2055445 0.78 SLC40A1 (0.48) SLC40A1ACLYCYP3A4EDNRBEDNRA
SCHEMBL2055446 0.74 SLC40A1 (0.59) SLC40A1HTTCYP3A4MEN1S1PR4
SCHEMBL1110445 0.73 KEAP1 (0.49) ACLY
SCHEMBL2055417 0.73 RECQL (0.60) SLC40A1HTTSMN1; SMN2ACLYMEN1
SCHEMBL1319104 0.73 RECQL (0.69) SLC40A1HTTACLYMEN1ALDH1A1
SCHEMBL1110218 0.72 CYP3A4 (0.56) SLC40A1ACLYCYP3A4EDNRBEDNRA
SCHEMBL1110267 0.70 HKDC1 (0.63) SMN1; SMN2ACLYMEN1ALDH1A1LMNA
SCHEMBL20265772 0.70 CYP1A2 (0.46) SLC40A1MAPK10MEN1KMT2A

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 SLC40A1 2499/4885HTT 4139/4885SMN1; SMN2 2062/4885

“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.