SCHEMBL641243

SCHEMBL641243

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
AR P10275 1/20 0.61
KDM1A O60341 1/20 0.59
MAOA P21397 1/20 0.59
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
IDH1 O75874 3/20 0.53

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) SMN1; SMN2GAAARCA1CA2
SCHEMBL31235173 0.87 AR (0.67) SMN1; SMN2GAAARCA1CA2
SCHEMBL27176695 0.87 SMN1; SMN2 (0.63) SMN1; SMN2GAAARKDM1AMAOA
SCHEMBL95754 0.86 GAA (0.66) SMN1; SMN2GAAARCA1CA2
SCHEMBL2452111 0.85 GAA (0.64) SMN1; SMN2GAAARCA1CA2
SCHEMBL10569884 0.85 IDH1 (0.56) SMN1; SMN2GAAIDH1MEN1KMT2A
SCHEMBL7445075 0.85 GAA (0.64) SMN1; SMN2GAAARCA1CA2
SCHEMBL27176681 0.85 SMN1; SMN2 (0.64) SMN1; SMN2GAAARKDM1AMAOA
SCHEMBL28380686 0.82 SMN1; SMN2 (0.61) SMN1; SMN2GAAARKDM1AMAOA
SCHEMBL2452582 0.82 GAA (0.57) SMN1; SMN2GAAARKDM1AMAOA

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-20120135904-A1 LUBRICANT COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
EP-2444474-A1 LUBRICANT COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2012-04-25 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 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-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP 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
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
US-4889851-A BONE DISORDERS FUJISAWA PHARMACEUTICAL CO, LTD. (JP) 1989-12-26 US disclosed
EP-0268990-A2 New benzothiadiazine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 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 SMN1; SMN2 4773/4885GAA 684/4885AR 425/4885
US-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 SMN1; SMN2 3948/4885GAA 4841/4885AR 103/4885

“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.