SCHEMBL2896883

SCHEMBL2896883

O=[N+]([O-])c1ccccc1-c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
ADAMTS4 O75173 1/20 0.54
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN1 P18031 1/20 0.45
S100A4 P26447 2/20 0.45
PTPRC P08575 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
HPGD P15428 1/20 0.43
CASP6 P55212 2/20 0.42
NSD2 O96028 1/20 0.42

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
Hydrochloric Acid SCHEMBL9141436 0.98 ALDH1A1 (0.62) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL10451884 0.86 ALDH1A1 (0.69) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL9141428 0.83 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL9311171 0.83 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4PTGS2
SCHEMBL3555427 0.80 ALDH1A1 (0.71) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL2958562 0.80 ALDH1A1 (0.92) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL44392 0.79 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL30196067 0.79 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4KMT2AMEN1
Benzene SCHEMBL28038982 0.79 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4KMT2AMEN1
SCHEMBL2009864 0.79 ALDH1A1 (0.81) ALDH1A1TDP1ADAMTS4KMT2AMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137141-B1 BIPHENYL-4-YL-SULFONIC ACID ARYLAMIDES AND THEIR USE AS THERAPEUTIC AGENTS UNIV ABERDEEN (GB) 2015-12-02 EP disclosed
US-8524778-B2 Biphenyl-4-yl-sulfonic acid arylamides and their use as therapeutic agents PIMCO 2664 LIMITED (GB) 2013-09-03 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
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-20100286266-A1 Biphenyl-4-yl-sulfonic acid arylamides and their use as therapeutic agents THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2010-11-11 US disclosed
EP-2137141-A1 BIPHENYL-4-YL-SULFONIC ACID ARYLAMIDES AND THEIR USE AS THERAPEUTIC AGENTS The University Court of The University of Aberdeen (GB) 2009-12-30 EP disclosed
EP-1756046-B1 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2009-12-09 EP disclosed
WO-2008114022-A1 BIPHENYL-4-YL-SULFONIC ACID ARYLAMIDES AND THEIR USE AS THERAPEUTIC AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-09-25 WO 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 (2 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-20100286266-A1 Biphenyl-4-yl-sulfonic acid arylamides and their use as therapeutic agents ARSA, SOST, AHR ALDH1A1 2561/4885TDP1 3764/4885ADAMTS4 1865/4885
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L ALDH1A1 1548/4885TDP1 2123/4885ADAMTS4 4082/4885

“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.