SCHEMBL2013104

SCHEMBL2013104

Cc1cc(S(=O)(=O)OCCCC(N)=O)ccc1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
PTGS2 P35354 10/20 0.39
PTGS1 P23219 4/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CHRNA7 P36544 2/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL2007826 0.87 PTGDR2 (0.39) TDO2PTGS2PTGS1PTGDR2
SCHEMBL2009361 0.83 MEP1B (0.41) TDO2PTGS2PTGS1IKBKBCHUK
SCHEMBL1712164 0.83 LGMN (0.44) TDO2PTGS2PTGS1IKBKBCHUK
SCHEMBL1711624 0.80 LGMN (0.43) TDO2PTGS2PTGS1IKBKBCHUK
SCHEMBL2008430 0.79 MEP1B (0.40) TDO2PTGS2PTGS1IKBKBCHUK
SCHEMBL2011858 0.77 ABL1 (0.43)
SCHEMBL2013468 0.77 KIF11 (0.46) PTGS2PTGDR2
SCHEMBL2011924 0.76 MMP1 (0.47) TDO2
SCHEMBL2011669 0.75 ALDH1A1 (0.46) PTGS2PTGS1
SCHEMBL2007224 0.75 PTGS2 (0.42) TDO2PTGS2PTGS1

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 TDO2 1907/4885PTGS2 2205/4885PTGS1 1037/4885

“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.