SCHEMBL928865

SCHEMBL928865

O=S(=O)(O)CCCC1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.57
MAPKAPK2 P49137 1/20 0.52
HTR7 P34969 8/20 0.51
CHRM4 P08173 5/20 0.50
CTSK P43235 1/20 0.50
HTR2A P28223 4/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD2 P14416 3/20 0.48
HTR2C P28335 3/20 0.47

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
SCHEMBL11216720 0.81 GRIN2B (0.64) GRIN2BMAPKAPK2HTR7CHRM4CTSK
SCHEMBL10857696 0.81 GRIN2B (0.67) GRIN2BMAPKAPK2HTR7CHRM4CTSK
Hydrochloric Acid SCHEMBL10851253 0.80 GRIN2B (0.66) GRIN2BHTR7CHRM4CTSKHTR2A
SCHEMBL14892998 0.80 GRIN2B (0.62) GRIN2BHTR7CHRM4CTSKHTR2A
SCHEMBL10851304 0.80 GRIN2B (0.66) GRIN2BMAPKAPK2HTR7CHRM4CTSK
Hydrochloric Acid SCHEMBL10854412 0.79 GRIN2B (0.64) GRIN2BHTR7CHRM4CTSKHTR2A
SCHEMBL17520610 0.78 GRIN2B (0.54) GRIN2BMAPKAPK2HTR7CHRM4CTSK
SCHEMBL5532807 0.78 GRIN2B (0.70) GRIN2BMAPKAPK2HTR7CHRM4CTSK
SCHEMBL18087743 0.76 GRIN2B (0.76) GRIN2BMAPKAPK2HTR7CHRM4CTSK
SCHEMBL3246180 0.76 GRIN2B (0.67) GRIN2BMAPKAPK2HTR7CHRM4CTSK

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-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7311893-B2 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-12-25 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US disclosed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS GRIN2B 4170/4885MAPKAPK2 4217/4885HTR7 2988/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 GRIN2B 4427/4885MAPKAPK2 4554/4885HTR7 3823/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 GRIN2B 4427/4885MAPKAPK2 4554/4885HTR7 3823/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS GRIN2B 4170/4885MAPKAPK2 4217/4885HTR7 2988/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS GRIN2B 4170/4885MAPKAPK2 4217/4885HTR7 2988/4885

“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.