SCHEMBL2452111

SCHEMBL2452111

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
AR P10275 1/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
PKM P14618 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
HSPD1 P10809 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN5 P54829 1/20 0.54
HSPE1 P61604 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
F2 P00734 1/20 0.50

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
SCHEMBL410747 0.87 AR (0.67) GAASMN1; SMN2ARCA1CA2
SCHEMBL31235173 0.87 AR (0.67) GAASMN1; SMN2ARCA1CA2
SCHEMBL95754 0.86 GAA (0.66) GAASMN1; SMN2ARCA1CA2
SCHEMBL7445075 0.85 GAA (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL641243 0.85 SMN1; SMN2 (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL17077916 0.84 L3MBTL1 (0.65) GAASMN1; SMN2ARCA1CA2
SCHEMBL3917522 0.81 AR (0.67) GAASMN1; SMN2ARCA1CA2
SCHEMBL1575942 0.81 GAA (0.64) GAASMN1; SMN2ARCA1CA2
SCHEMBL27176653 0.81 GAA (0.60) GAASMN1; SMN2ARCA1CA2
SCHEMBL2691135 0.79 HDAC1 (0.61) GAASMN1; SMN2ARCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376092-A1 MODULATORS OF PrPC AND USES THEREOF FONDAZIONE TELETHON ETS (IT) 2024-11-14 US disclosed
EP-4340844-A1 MODULATORS OF PRPC AND USES THEREOF Fondazione Telethon ETS (IT) 2024-03-27 EP disclosed
WO-2022243549-A1 MODULATORS OF PrPC AND USES THEREOF FONDAZIONE TELETHON (IT) 2022-11-24 WO disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
CN-101068797-A Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2007-11-07 CN disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG GAA 684/4885SMN1; SMN2 4773/4885AR 425/4885
US-20240376092-A1 MODULATORS OF PrPC AND USES THEREOF PRNP, PRPH, PRP4K GAA 2321/4885SMN1; SMN2 600/4885AR 4799/4885

“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.