SCHEMBL172284

SCHEMBL172284

CC[N+](CC)(CC)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
KCNA1 Q09470 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PMP22 Q01453 1/20 0.37
ATM Q13315 1/20 0.37

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
Tetrylammonium SCHEMBL331298 0.81 TSHR (0.53) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL27869205 0.78 TSHR (0.57) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL36704 0.78 TSHR (0.57) TSHRNFKB1KCNA1KDM4EPMP22
Bromide SCHEMBL28431593 0.76 SLC22A1 (0.43) TSHR
Tetrylammonium SCHEMBL28602155 0.75 TSHR (0.53) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL3643966 0.75 TSHR (0.53) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL331444 0.75 TSHR (0.53) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL172218 0.74 BBOX1 (0.38)
Hydrogen Sulfide SCHEMBL28046696 0.73
Tetrylammonium SCHEMBL8645725 0.73 TSHR (0.50) TSHRNFKB1KCNA1KDM4EPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278909-B2 Amide-extended crosslinking compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2016-03-08 US disclosed
US-20130338313-A1 AMIDE-EXTENDED CROSSLINKING COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2013-12-19 US disclosed
US-8513375-B2 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. 2013-08-20 US disclosed
US-8304171-B2 Plate making method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-11-06 US disclosed
EP-2082875-B1 Lithographic printing plate precursor and plate making method using the precursor FUJIFILM CORP (JP) 2012-03-07 EP disclosed
US-20110130485-A1 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS DESIGNER MOLECULES, INC. (US) 2011-06-02 US disclosed
US-7884174-B2 condensation of appropriate anhydrides with appropriate diamines to give amine terminated compounds, then condensed with excess maleic anhydride to yield imide-extended maleimide compounds DESIGNER MOLECULES, INC. (US) 2011-02-08 US disclosed
US-20100248142-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100055607-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-03-04 US disclosed
US-20090233222-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
EP-2082875-A1 Lithographic printing plate precursor and plate making method thereof FUJIFILM Corporation (JP) 2009-07-29 EP disclosed
US-7560599-B2 Method for preparing polymethoxymethylal LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2009-07-14 US disclosed
US-20090036715-A1 METHOD FOR PREPARING POLYMETHOXYMETHYLAL LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2009-02-05 US disclosed
US-20080075961-A1 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. 2008-03-27 US disclosed
US-7208566-B2 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. (US) 2007-04-24 US disclosed
EP-1620495-A4 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS ADVANCED APPLIED ADHESIVES (US) 2006-06-14 EP disclosed
EP-1620495-A2 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS Advanced Applied Adhesives (US) 2006-02-01 EP disclosed
WO-2004099331-A2 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS ADVANCED APPLIED ADHESIVES (US) 2004-11-18 WO disclosed
US-20040225026-A1 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. 2004-11-11 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 (2 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-20110130485-A1 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS MEN1, PBRM1, PAICS TSHR 4587/4885NFKB1 2345/4885KCNA1 3946/4885
US-20090036715-A1 METHOD FOR PREPARING POLYMETHOXYMETHYLAL TET3, TET2, TET1 TSHR 4819/4885NFKB1 2665/4885KCNA1 2106/4885

“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.