SCHEMBL2009361

SCHEMBL2009361

NC(=O)CCCOS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.41
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
LMNA P02545 1/20 0.39
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP13 P45452 2/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
TDO2 P48775 1/20 0.38
LGMN Q99538 1/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL2008430 0.95 MEP1B (0.40) MEP1BIKBKBCHUKLMNAF2
SCHEMBL2005594 0.86 MMP2 (0.51) MMP2MMP9MMP1MMP3MMP13
SCHEMBL5161913 0.85 CA2 (0.39) LMNAMMP2MMP9PTGS1PTGS2
SCHEMBL1712164 0.85 LGMN (0.44) IKBKBCHUKLMNAPTGS1PTGS2
SCHEMBL2009054 0.85 CA2 (0.46) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL2006613 0.84 KIF11 (0.50) MMP2MMP9MMP1MMP3MMP13
SCHEMBL2013104 0.83 TDO2 (0.39) IKBKBCHUKPTGS1PTGS2TDO2
SCHEMBL2006136 0.82 PTGS2 (0.44) MMP2MMP9MMP1MMP3MMP13
SCHEMBL2011669 0.82 ALDH1A1 (0.46) MMP2MMP9PTGS1PTGS2LGMN
SCHEMBL2011339 0.82 KIF11 (0.41) MMP2MMP9PTGS1PTGS2

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 MEP1B 3722/4885IKBKB 313/4885CHUK 49/4885

“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.