SCHEMBL2013529

SCHEMBL2013529

Nc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
PKM P14618 4/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 1/20 0.47
GAA P10253 1/20 0.47
TBXA2R P21731 1/20 0.47
CYP2D6 P10635 1/20 0.46
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IKBKB O14920 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL2005591 0.84 ALDH1A1 (0.64) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2010241 0.83 ALDH1A1 (0.51) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2011664 0.83 GRIA4 (0.54) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2009617 0.82 ALDH1A1 (0.67) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2004233 0.82 ALDH1A1 (0.67) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL13591295 0.81 CYP2D6 (0.60) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL13591267 0.81 ALDH1A1 (0.49) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL30380602 0.81 CYP2D6 (0.68) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL4060764 0.80 ALDH1A1 (0.79) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2006863 0.80 ADAMTS4 (0.53) ALDH1A1PKMKDM4ELMNASMN1; 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 ALDH1A1 1548/4885PKM 4242/4885KDM4E 518/4885

“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.