SCHEMBL2434191

SCHEMBL2434191

CC(OC(=O)CBr)[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4334239 0.81 MGAM (0.35) FAAHCNR1CNR2
SCHEMBL8830941 0.77 KDM4E (0.34)
SCHEMBL10790861 0.76 MGAM (0.46) ALDH1A1
SCHEMBL4334245 0.76 LDHA (0.33)
SCHEMBL4438144 0.75 TRPA1 (0.46) TRPA1ALDH1A1CYP2C19L3MBTL1FAAH
SCHEMBL140868 0.75
SCHEMBL2460299 0.75 TRPA1 (0.31) TRPA1ALDH1A1
SCHEMBL17768384 0.73
SCHEMBL23462145 0.72 LMNA (0.41) ALDH1A1FAAHCNR1CNR2
SCHEMBL2417664 0.72 MCL1 (0.34) ALDH1A1

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
US-8697447-B2 Cleavable surfactants and methods of use thereof VANDERBILT UNIVERSITY (US) 2014-04-15 US disclosed
US-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2011-09-08 US disclosed
EP-1404643-A4 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF UNIV VANDERBILT (US) 2008-05-07 EP disclosed
US-20060240562-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF CAPRIOLI RICHARD M 2006-10-26 US disclosed
US-7074936-B2 Cleavable surfactants and methods of use thereof VANDERBILT UNIVERSITY (US) 2006-07-11 US disclosed
US-20040152913-A1 Cleavable surfactants and methods of use thereof VANDERBILT UNIVERSITY 2004-08-05 US disclosed
EP-1404643-A2 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2004-04-07 EP disclosed
WO-2002097393-A2 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2002-12-05 WO disclosed
EP-0910568-A4 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION UNIV PRINCETON (US) 2002-04-24 EP disclosed
EP-0901629-A4 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD UNIV PRINCETON (US) 2000-02-02 EP disclosed
EP-0910568-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1999-04-28 EP disclosed
EP-0901629-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1999-03-17 EP disclosed
WO-1997034906-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed
WO-1997035202-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 EP 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-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF PHOSPHO1, SGMS1, SGMS2 TRPA1 3212/4885ALDH1A1 4849/4885CYP2C19 4662/4885
US-20060240562-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF ADAM33, ADAM17, TMPRSS15 TRPA1 4180/4885ALDH1A1 4845/4885CYP2C19 4850/4885
US-20040152913-A1 Cleavable surfactants and methods of use thereof ADAM33, ADAM17, TMPRSS15 TRPA1 4180/4885ALDH1A1 4845/4885CYP2C19 4850/4885

“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.