SCHEMBL2013466

SCHEMBL2013466

O=S(=O)(NCCCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 3/20 0.52
ALOX5AP P20292 5/20 0.50
FEN1 P39748 5/20 0.50
KIF11 P52732 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP7 P09237 1/20 0.45
APP P05067 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 1/20 0.42
CYP19A1 P11511 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL2006610 0.86 HDAC4 (0.56) PKMGAAALDH1A1KIF11HDAC4
SCHEMBL1712163 0.83 ALDH1A1 (0.57) PKMGAAALDH1A1ALOX5APFEN1
SCHEMBL2009231 0.82 PTGES2 (0.51) PKMGAAALDH1A1KIF11HDAC4
SCHEMBL1711623 0.81 ALDH1A1 (0.60) PKMGAAALDH1A1ALOX5APFEN1
SCHEMBL2011923 0.81 MMP1 (0.54) PKMGAAALDH1A1ALOX5APFEN1
SCHEMBL2009297 0.80 ALOX5AP (0.48) ALOX5APFEN1KIF11HDAC4HDAC6
SCHEMBL2011664 0.77 GRIA4 (0.54) PKMGAAALDH1A1ALOX5APFEN1
SCHEMBL2007481 0.76 ALDH1A1 (0.54) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL2013102 0.76 ALDH1A1 (0.55) PKMGAAALDH1A1IKBKBCHUK
SCHEMBL2007823 0.74 ALDH1A1 (0.52) PKMGAAALDH1A1ALOX5APFEN1

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 8 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
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
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 PKM 4242/4885GAA 3516/4885ALDH1A1 1548/4885

“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.