SCHEMBL2011924

SCHEMBL2011924

NC(=O)CCCOS(=O)(=O)c1ccc(-c2ccc(Br)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
GRK2 P25098 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 1/20 0.38
MME P08473 1/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL1712164 0.88 LGMN (0.44) CA1CA2TDO2LGMNALDH1A1
SCHEMBL1711624 0.84 LGMN (0.43) CA12CA1CA2CA9TDO2
SCHEMBL2009054 0.83 CA2 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2011669 0.83 ALDH1A1 (0.46) MMP2MMP9SMN1; SMN2L3MBTL1LGMN
SCHEMBL2007613 0.82 ALDH1A1 (0.46) MMP1MMP2MMP9MMP13SMN1; SMN2
SCHEMBL2013468 0.81 KIF11 (0.46) ALOX5APFEN1RORC
SCHEMBL2008543 0.80 DGAT1 (0.43) GRK2RECQLSMN1; SMN2CTDSP1TDP1
SCHEMBL2009361 0.78 MEP1B (0.41) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2007483 0.77 CA2 (0.37) CA12CA1CA2CA9CA4
SCHEMBL2013104 0.76 TDO2 (0.39) TDO2

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 MMP1 76/4885MMP2 1086/4885MMP3 1119/4885

“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.