SCHEMBL3255126

SCHEMBL3255126

Cc1cc(C)c(CC#N)c(C)c1CC#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
SLC11A2 P49281 1/20 0.36
GAA P10253 1/20 0.32
EDNRA P25101 3/20 0.32
HTR1D P28221 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6589242 0.89 SLC11A2 (0.35) PGK1PGK2SLC11A2HTR1D
SCHEMBL1823441 0.85 ALDH1A1 (0.32) PGK1PGK2GAAHTT
SCHEMBL6588948 0.85 ALDH1A1 (0.39) PGK1PGK2SLC11A2GAAHTR1D
SCHEMBL8793007 0.80 MEN1 (0.38) PGK1PGK2EDNRA
SCHEMBL1022724 0.80 ATM (0.38) GAAHTR1D
SCHEMBL6587785 0.78 ALDH1A1 (0.37) HTT
SCHEMBL7982969 0.76 CSNK2A1 (0.37) GAAHTR1D
SCHEMBL11860918 0.76 CYP3A4 (0.41) GAA
SCHEMBL954302 0.76 HTT (0.32) GAAHTT
SCHEMBL5728741 0.76 CYP2A6 (0.33) GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716215-B1 CURABLE LIQUID COMPOSITIONS CONTAINING BISOXAZOLINE HENKEL AG & CO KGAA (DE) 2010-06-02 EP disclosed
EP-1716215-B1 CURABLE LIQUID COMPOSITIONS CONTAINING BISOXAZOLINE HENKEL AG & CO KGAA (DE) 2010-06-02 EP disclosed
US-7390430-B2 And 1,6-hexanediol diacrylate; curing to a thermosetting resin by zwitterionic polymerization, which does not require a curing agent; adhesives and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-06-24 US disclosed
US-7390430-B2 And 1,6-hexanediol diacrylate; curing to a thermosetting resin by zwitterionic polymerization, which does not require a curing agent; adhesives and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-06-24 US disclosed
US-7390430-B2 And 1,6-hexanediol diacrylate; curing to a thermosetting resin by zwitterionic polymerization, which does not require a curing agent; adhesives and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-06-24 US disclosed
US-20070032578-A1 Curable liquid compositions containing bisoxazoline HENKEL KGAA (DE) 2007-02-08 US disclosed
US-20070032578-A1 Curable liquid compositions containing bisoxazoline HENKEL KGAA (DE) 2007-02-08 US disclosed
US-20070032578-A1 Curable liquid compositions containing bisoxazoline HENKEL KGAA (DE) 2007-02-08 US disclosed
EP-1716215-A1 CURABLE LIQUID COMPOSITIONS CONTAINING BISOXAZOLINE National Starch and Chemical Investment Holding Corporation (US) 2006-11-02 EP disclosed
WO-2005085384-A1 CURABLE LIQUID COMPOSITIONS CONTAINING BISOXAZOLINE NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING COPORATION (US) 2005-09-15 WO disclosed
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 EP disclosed
US-6420567-B1 PRODRUGS TEXAS BIOTECHNOLOGY CORPORATION 2002-07-16 US disclosed
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 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-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 PGK1 4298/4885PGK2 3641/4885SLC11A2 1069/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 PGK1 4298/4885PGK2 3641/4885SLC11A2 1069/4885

“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.