SCHEMBL12570990

SCHEMBL12570990

O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.55
▸ CA1 P00915 2/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ MMP2 P08253 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ MMP8 P22894 1/20 0.55
▸ MMP13 P45452 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CA5A P35218 1/20 0.51
▸ PGR P06401 3/20 0.50
▸ PELI1 Q96FA3 1/20 0.50
▸ PLAU P00749 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C8 P10632 1/20 0.48

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
Sulfuric Acid SCHEMBL30827375 0.86 TSHR (0.59) CA2CA1MMP1MMP2MMP9
SCHEMBL12570988 0.83 GAA (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL27934981 0.83 ALDH1A1 (0.53) CA2CA1MMP1MMP2MMP9
Dinitrophenylene SCHEMBL28073760 0.83 GAA (0.62) CA2CA1MMP1MMP2MMP9
SCHEMBL9471995 0.82 KMT2A (0.72) CA2CA1MMP1MMP2MMP9
SCHEMBL6525363 0.82 KMT2A (0.72) CA2CA1MMP1MMP2MMP9
SCHEMBL33350 0.82 KMT2A (0.72) CA2CA1MMP1MMP2MMP9
SCHEMBL33351 0.82 KMT2A (0.72) CA2CA1MMP1MMP2MMP9
SCHEMBL4516641 0.82 TSHR (0.64) TSHRLMNAPGRALDH1A1TDP1
SCHEMBL7838339 0.82 LMNA (0.64) KMT2ATSHRLMNAPGRALDH1A1

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
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
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 CA2 715/4885CA1 675/4885MMP1 76/4885

“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.

Send feedback