SCHEMBL917878

SCHEMBL917878

O=C(NCCCS(=O)(=O)O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
TGM2 P21980 1/20 0.63
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KEAP1 Q14145 2/20 0.60
NFE2L2 Q16236 2/20 0.60
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
FOLH1 Q04609 2/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP13 P45452 1/20 0.51

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
SCHEMBL917788 0.99 HTT (0.65) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL3309927 0.97 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL918470 0.96 HTT (0.65) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL4061201 0.91 LMNA (0.65) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL3798700 0.90 LMNA (0.63) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL17787485 0.90 HTT (0.58) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.89 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689659-B Imidazooxazole derivative having anti-tumor effect and pharmaceutical composition comprising the same 韩国科学技术研究院 2022-01-28 CN disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
WO-2006103009-A1 ANTIBACTERIAL AMIDE MACROCYCLES VI AICURIS GMBH & CO. KG (DE) 2006-10-05 WO disclosed
CN-1839117-A Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN disclosed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 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-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS HTT 27/4885TGM2 3076/4885LMNA 1815/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 10/4885TGM2 259/4885LMNA 71/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 10/4885TGM2 259/4885LMNA 71/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 15/4885TGM2 178/4885LMNA 89/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 HTT 10/4885TGM2 259/4885LMNA 71/4885

“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.