SCHEMBL732826

SCHEMBL732826

CN(C)c1cccc2c(S(=O)(=O)CCO[C]=O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
F2 P00734 3/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
EDNRA P25101 9/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL292553 0.81 CA2 (0.52) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL292554 0.80 CA2 (0.51) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3806560 0.80 CYP1A2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL13274117 0.79 CYP1A2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL5595985 0.79 CA2 (0.50) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1282670 0.79 F2 (0.55) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL7558145 0.79 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1896953 0.79 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1861706 0.79 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9040819 0.79 CA1 (0.46) CA2CYP1A2CYP2C19F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114064-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
US-20200377529-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-12-03 US disclosed
US-10800797-B2 Heteroaromatic silicon-fluoride-acceptors useful for 18F labeling of molecules and biomolecules, and methods of preparing same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-10-13 US disclosed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
EP-1095053-B1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS XZILLION GMBH & CO KG (DE) 2002-12-11 EP disclosed
EP-1262544-A2 METHOD FOR CONSTRUCTING OLIGODESOXYRIBONUCLEOTIDE BINOMIAL LIBRARIES WITH CODON MUTAGENIZED USING DESOXYNUCLEOSIDE-PHOSPHORAMITIDES UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2002-12-04 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 (7 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR CA2 2835/4885CYP1A2 4756/4885CYP2C19 4313/4885
US-10800797-B2 Heteroaromatic silicon-fluoride-acceptors useful for 18F labeling of molecules and biomolecules, and methods of preparing same SSTR3, FUCA1, FAM83A CA2 1143/4885CYP1A2 3676/4885CYP2C19 2920/4885
US-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP CA2 497/4885CYP1A2 1061/4885CYP2C19 951/4885
US-20200377529-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME FER, KIT, PFAS CA2 1668/4885CYP1A2 4181/4885CYP2C19 2247/4885
US-20230114064-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME KIT, FER, FUT8 CA2 1377/4885CYP1A2 4204/4885CYP2C19 2574/4885
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP CA2 2660/4885CYP1A2 198/4885CYP2C19 657/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 CA2 1070/4885CYP1A2 1893/4885CYP2C19 1109/4885

“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.