SCHEMBL176933

SCHEMBL176933

O=[N+]([O-])c1ccccc1-c1ccccc1S(=O)(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
PTPN1 P18031 1/20 0.46
S100A4 P26447 2/20 0.46
PTPRC P08575 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7336242 0.87 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL27489200 0.87 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL2041285 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL17278 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL29425558 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1TDP1CA2
Methane SCHEMBL9273303 0.83 KMT2A (0.68) KMT2AMEN1ALDH1A1TDP1CA2
Hydrochloric Acid SCHEMBL7006367 0.83 KMT2A (0.68) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL2007744 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL12097155 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1TDP1CA2
SCHEMBL30535903 0.80 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1TDP1PTPN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP disclosed
EP-2137141-B1 BIPHENYL-4-YL-SULFONIC ACID ARYLAMIDES AND THEIR USE AS THERAPEUTIC AGENTS UNIV ABERDEEN (GB) 2015-12-02 EP disclosed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-9000208-B2 Glutamate derivatives or salts thereof AJINOMOTO CO., INC. (JP) 2015-04-07 US disclosed
US-8877739-B2 Prophylactic agent or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 US 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-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-04-25 US disclosed
EP-2554165-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY Ajinomoto Co., Inc. (JP) 2013-02-06 EP disclosed
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 EP 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
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 (5 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 KMT2A 235/4885MEN1 4647/4885ALDH1A1 2561/4885
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L KMT2A 1344/4885MEN1 3229/4885ALDH1A1 1548/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 KMT2A 2704/4885MEN1 2018/4885ALDH1A1 2705/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR KMT2A 4292/4885MEN1 2176/4885ALDH1A1 2335/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 KMT2A 2704/4885MEN1 2018/4885ALDH1A1 2705/4885

“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.