SCHEMBL2006863

SCHEMBL2006863

O=[N+]([O-])c1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.53
ALDH1A1 P00352 13/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
PKM P14618 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
GAA P10253 1/20 0.44
TBXA2R P21731 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPY5R Q15761 1/20 0.43

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
SCHEMBL2010606 0.99 ADAMTS4 (0.52) ADAMTS4ALDH1A1TDP1MAPTLMNA
SCHEMBL2008334 0.81 ALOX5AP (0.42) ADAMTS4ALDH1A1TDP1MAPTLMNA
SCHEMBL18319951 0.81 KMT2A (0.60) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL2005591 0.81 ALDH1A1 (0.64) ALDH1A1LMNAPKMKDM4ESMN1; SMN2
SCHEMBL2013529 0.80 ALDH1A1 (0.51) ALDH1A1LMNAPKMKDM4ESMN1; SMN2
SCHEMBL2010241 0.80 ALDH1A1 (0.51) ALDH1A1LMNAPKMKDM4ESMN1; SMN2
SCHEMBL2011664 0.80 GRIA4 (0.54) ALDH1A1LMNAPKMKDM4ESMN1; SMN2
SCHEMBL2004233 0.79 ALDH1A1 (0.67) ALDH1A1LMNAPKMKDM4ESMN1; SMN2
SCHEMBL7397025 0.79 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTPKM
SCHEMBL2009617 0.79 ALDH1A1 (0.67) ALDH1A1LMNAPKMKDM4ESMN1; SMN2

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 10 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
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
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
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
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
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 ADAMTS4 4082/4885ALDH1A1 1548/4885TDP1 2123/4885

“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.