SCHEMBL918210

SCHEMBL918210

CCC(N1C=CC(CCCc2ccccc2)CC1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL917325 0.73 KDM4E (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL3314486 0.66 SLC6A2 (0.39) MEN1KMT2A
SCHEMBL27723716 0.64 SIGMAR1 (0.46) NPC1
Sulfuric Acid SCHEMBL28797646 0.60 MAPT (0.61) MEN1KMT2A
Sulfuric Acid SCHEMBL5473779 0.60 MEN1 (0.57) KCNH2MEN1KMT2A
SCHEMBL16398748 0.60 SLC18A3 (0.40) MEN1KMT2ASLC18A3
SCHEMBL16398747 0.60 SLC18A3 (0.40) MEN1KMT2ASLC18A3
Butylbenzyl SCHEMBL1062488 0.60 MEN1 (0.56) KCNH2MEN1KMT2A
Hydrocinnamyl Alcohol SCHEMBL28034182 0.60 POLB (0.59) MEN1KMT2A
SCHEMBL23322456 0.59 GRIK1 (0.47) MEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-22 US 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HTR2A 4327/4885KCNH2 3229/4885MEN1 1137/4885
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 HTR2A 2798/4885KCNH2 4709/4885MEN1 2655/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS HTR2A 4327/4885KCNH2 3229/4885MEN1 1137/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HTR2A 4327/4885KCNH2 3229/4885MEN1 1137/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 HTR2A 2007/4885KCNH2 3255/4885MEN1 1011/4885

“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.