SCHEMBL3249761

SCHEMBL3249761

O=C(O)C1Cc2ccccc2CN1CCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MMP8 P22894 9/20 0.45
MMP3 P08254 5/20 0.45
MMP13 P45452 1/20 0.45
POLB P06746 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL5740070 0.85 MMP8 (0.43) ACEMMP8MMP3
SCHEMBL7536956 0.82 ACE (0.49) ACEALDH1A1LMNAMMP8MMP3
SCHEMBL7536950 0.82 ACE (0.49) ACEALDH1A1LMNAMMP8MMP3
SCHEMBL12191655 0.79 ACE (0.51) ACEALDH1A1LMNAMMP8MMP3
SCHEMBL7536221 0.78 GRM2 (0.51) ACEMMP8MMP3MMP13
SCHEMBL7536224 0.78 GRM2 (0.51) ACEMMP8MMP3MMP13
SCHEMBL5500239 0.77 HTR2A (0.47) ACEALDH1A1LMNA
Hydrochloric Acid SCHEMBL6962899 0.76 HTR2A (0.46) ACEALDH1A1LMNA
SCHEMBL9631439 0.76 ACE (0.50) ACEALDH1A1LMNAPOLBTDP1
SCHEMBL12125023 0.76 ACE (0.53) ACEALDH1A1LMNAPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
CN-101597196-A Improved drug candidate and preparation method thereof BELLUS HEALTH INTERNAT LTD (CH) 2009-12-09 CN disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
CN-100528840-C Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2009-08-19 CN disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 US disclosed
CN-1839117-A Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN 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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 ACE 47/4885ALDH1A1 2926/4885LMNA 74/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ACE 47/4885ALDH1A1 2926/4885LMNA 74/4885

“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.