SCHEMBL917433

SCHEMBL917433

O=S(=O)(O)CCCNCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL918262 0.85 MEN1 (0.51) EPHX2MEN1KMT2A
SCHEMBL21397003 0.83 GRIN2D (0.50) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL10755394 0.81 GRIN2D (0.52) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL10755449 0.80 GRIN2D (0.50) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL10759013 0.80 GRIN2D (0.50) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL1010509 0.79 EPHX2 (0.47) EPHX2MEN1KMT2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1677979 0.76 GRIN2D (0.52) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL1677869 0.76 MEN1 (0.51) EPHX2MEN1KMT2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1677813 0.75 EPHX2 (0.50) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL27599314 0.75 EPHX2 (0.54) EPHX2MEN1KMT2AGRIN2DGRIN3B

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
CN-101597196-B Improved drug candidate and preparation method thereof JIYAKETA CO., LTD. (CH) 2016-05-04 CN 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
CN-101597196-A Improved drug candidate and preparation method thereof BELLUS HEALTH INTERNAT LTD (CH) 2009-12-09 CN disclosed
CN-100528840-C Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2009-08-19 CN 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
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 (3 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 EPHX2 2293/4885MEN1 1137/4885KMT2A 4395/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS EPHX2 2293/4885MEN1 1137/4885KMT2A 4395/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS EPHX2 2293/4885MEN1 1137/4885KMT2A 4395/4885

“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.