SCHEMBL2006136

SCHEMBL2006136

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 2/20 0.42
KIF11 P52732 1/20 0.42
CYP2C9 P11712 1/20 0.41
SCN5A Q14524 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
TP53 P04637 1/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
MMP14 P50281 2/20 0.40
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
MMP3 P08254 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL2006613 0.84 KIF11 (0.50) PTGS2PTGS1KIF11MMP2MMP9
SCHEMBL2009361 0.82 MEP1B (0.41) PTGS2PTGS1MMP2MMP9MMP13
SCHEMBL2005594 0.80 MMP2 (0.51) MMP2MMP9MMP13MMP14MMP3
SCHEMBL2009054 0.79 CA2 (0.46) MMP2MMP9MMP13MMP14MMP3
SCHEMBL2008430 0.78 MEP1B (0.40) PTGS2PTGS1MMP2MMP9MMP13
SCHEMBL5161913 0.77 CA2 (0.39) PTGS2PTGS1KIF11MMP2MMP9
SCHEMBL2008347 0.76 CA12 (0.48) L3MBTL1MMP2MMP9MMP8MMP13
SCHEMBL2013462 0.76 LMNA (0.42) MMP2MMP9CA12CA1CA2
SCHEMBL2004234 0.76 MMP2 (0.50) MMP2MMP9MMP14CA12CA1
SCHEMBL2007689 0.76 MMP2 (0.41) PTGS2MMP2MMP9MMP8MMP13

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 PTGS2 2205/4885PTGS1 1037/4885L3MBTL1 305/4885

“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.