SCHEMBL2010244

SCHEMBL2010244

NC(=O)CCCOS(=O)(=O)c1ccc(-c2ccccc2I)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
TDO2 P48775 1/20 0.35
DRD1 P21728 2/20 0.35
LMNA P02545 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
PDK2 Q15119 1/20 0.34
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PRMT1 Q99873 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32

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
SCHEMBL2013532 0.85 HDAC3 (0.42) MMP2MMP9TDO2DRD1LMNA
SCHEMBL2011669 0.84 ALDH1A1 (0.46) MMP2MMP9DRD1FFAR4PTGS2
SCHEMBL2005594 0.83 MMP2 (0.51) MMP2MMP9CA12CA1CA2
SCHEMBL2006864 0.81 ALDH1A1 (0.47) MMP2MMP9LMNA
SCHEMBL2004234 0.79 MMP2 (0.50) MMP2MMP9CA12CA1CA2
SCHEMBL2013598 0.79 ICMT (0.42) DRD1LMNAPTGS2PTGS1
SCHEMBL2010610 0.78 ALDH1A1 (0.46) LMNA
SCHEMBL2008373 0.78 FFAR4 (0.52) MMP2MMP9FFAR4PDK2PTGS2
SCHEMBL2009361 0.76 MEP1B (0.41) MMP2MMP9TDO2LMNAPTGS2
SCHEMBL2009054 0.76 CA2 (0.46) MMP2MMP9CA12CA2CA9

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 3 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

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 MMP2 1086/4885MMP9 1159/4885TDO2 1907/4885

“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.