SCHEMBL918218

SCHEMBL918218

CC(O)CCCNCCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GRIA1 P42261 3/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL25385302 0.83 APP (0.44) APPALDH1A1GRIA1EPHX2TSHR
SCHEMBL5144485 0.83 APP (0.44) APPALDH1A1GRIA1EPHX2TSHR
SCHEMBL25382857 0.83 APP (0.44) APPALDH1A1GRIA1EPHX2TSHR
SCHEMBL918429 0.82 KMT2A (0.38) APPALDH1A1GRIA1EPHX2
SCHEMBL917858 0.82 APP (0.37) APPALDH1A1GRIA1EPHX2TSHR
SCHEMBL918428 0.82 KMT2A (0.38) APPALDH1A1GRIA1EPHX2
SCHEMBL918439 0.82 KMT2A (0.38) APPALDH1A1GRIA1EPHX2
SCHEMBL5535320 0.81 APP (0.42) APPALDH1A1EPHX2
SCHEMBL918312 0.81 APP (0.50) APPALDH1A1EPHX2TSHR
SCHEMBL28589480 0.81 ALDH1A1 (0.41) ALDH1A1TSHR

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 5 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-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 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 (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 APP 86/4885ALDH1A1 78/4885GRIA1 3506/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS APP 86/4885ALDH1A1 78/4885GRIA1 3506/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS APP 86/4885ALDH1A1 78/4885GRIA1 3506/4885

“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.