SCHEMBL917376

SCHEMBL917376

CCC(N1CCC=C(c2ccccc2)C1)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.43
HRH3 Q9Y5N1 3/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
LSS P48449 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL918720 0.80 ALDH1A1 (0.46) HSD11B1HRH3KCNH2ALDH1A1LMNA
SCHEMBL6099117 0.75 HSD11B1 (0.40) HSD11B1ALDH1A1PKMTSHRKMT2A
SCHEMBL8960452 0.74 HRH3 (0.44) HSD11B1HRH3KCNH2LMNATSHR
Hydrochloric Acid SCHEMBL10752371 0.72 HRH3 (0.43) HSD11B1HRH3KCNH2LMNATSHR
SCHEMBL5540150 0.68 KDM4E (0.54) LMNAKMT2AKDM4EGAAMAPT
SCHEMBL10638314 0.67 CHRM2 (0.44) HSD11B1
SCHEMBL2586827 0.67
SCHEMBL6096437 0.67 HSD11B1 (0.47) HSD11B1ALDH1A1LMNAPKMMMP2
SCHEMBL3314486 0.67 SLC6A2 (0.39) TSHRKMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL917378 0.67 HTR7 (0.38) HSD11B1ALDH1A1LMNAKMT2AKDM4E

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 11 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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 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 (6 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 HSD11B1 812/4885HRH3 3688/4885KCNH2 3229/4885
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 HSD11B1 763/4885HRH3 1636/4885KCNH2 3116/4885
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 HSD11B1 2320/4885HRH3 1716/4885KCNH2 4709/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS HSD11B1 812/4885HRH3 3688/4885KCNH2 3229/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HSD11B1 812/4885HRH3 3688/4885KCNH2 3229/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 HSD11B1 763/4885HRH3 1636/4885KCNH2 3116/4885

“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.