SCHEMBL917944

SCHEMBL917944

CCC(c1ncc[nH]1)S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.40
F2RL1 P55085 14/20 0.39
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL8061499 0.77 ALDH1A1 (0.40) FPR2F2RL1
SCHEMBL27445006 0.74 FPR2 (0.37) FPR2F2RL1
Sulfuric Acid SCHEMBL28689223 0.73 FPR2 (0.42) FPR2F2RL1TXNTXNRD1
SCHEMBL27695954 0.73 FPR2 (0.42) FPR2F2RL1
Bromide SCHEMBL28351579 0.72 FPR2 (0.43) FPR2F2RL1
SCHEMBL2382328 0.72
SCHEMBL5693242 0.72
SCHEMBL3602253 0.71 TXN (0.43) FPR2F2RL1TXNTXNRD1
Sulfuric Acid SCHEMBL28437439 0.70 ADRA2A (0.39) FPR2F2RL1
SCHEMBL30481068 0.70 MMP1 (0.36) FPR2F2RL1TXNTXNRD1

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 7 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
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 FPR2 2341/4885F2RL1 3264/4885TXN 441/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS FPR2 2341/4885F2RL1 3264/4885TXN 441/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS FPR2 2341/4885F2RL1 3264/4885TXN 441/4885

“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.