SCHEMBL2009137

SCHEMBL2009137

CN(C)c1ccc(-c2ccc(S(=O)(=O)OCCCCC(N)=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
LTB4R Q15722 1/20 0.41
MMP8 P22894 4/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.38
APP P05067 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2009235 0.85 ALDH1A1 (0.47) LTB4RF2PRSS1PRSS2PRSS3
SCHEMBL2004234 0.83 MMP2 (0.50) HDAC1LTB4RMMP2MMP9CA2
SCHEMBL2013462 0.83 LMNA (0.42) HDAC1LTB4RMMP2MMP9CA2
SCHEMBL2012396 0.82 MEN1 (0.50) CA2CA1CA9MEN1NPC1
SCHEMBL2008430 0.82 MEP1B (0.40) HDAC1LTB4RMMP2MMP9MMP13
SCHEMBL2009256 0.81 CA1 (0.51) MMP2MMP9F2PRSS1PRSS2
SCHEMBL2008347 0.80 CA12 (0.48) HDAC1MMP8MMP2MMP9MMP13
SCHEMBL9709447 0.80 ALDH1A1 (0.51) HDAC1F2PRSS1PRSS2PRSS3
SCHEMBL2005594 0.79 MMP2 (0.51) HDAC1LTB4RMMP2MMP9MMP13
SCHEMBL2006904 0.78 MMP3 (0.50) HDAC1MMP2MMP9MMP13CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964643-B2 Biphenyl-4-sulfonic acid-(4-hydroxybutyl)-amide and derivatives; inhibits osteoclast survival, formation, and/or activity and/or inhibits bone resorption; osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, antiinflammatory, -carcinogenic agents; immunostimulants THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2011-06-21 US disclosed
EP-1756046-B1 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2009-12-09 EP disclosed
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-05-22 US disclosed
EP-1756046-A2 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2007-02-28 EP disclosed
WO-2005118528-A2 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2005-12-15 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-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L HDAC1 565/4885LTB4R 2670/4885MMP8 1146/4885

“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.