SCHEMBL3633599

SCHEMBL3633599

O=[N+]([O-])c1ccc(C[C]=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.52
IDO1 P14902 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PYCR1 P32322 1/20 0.45
AKR1C3 P42330 1/20 0.44
CHRM2 P08172 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL4223676 0.83 LOXL2 (0.59) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL523810 0.81 LOXL2 (0.57) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL398128 0.79 GAA (0.59) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL12415808 0.79 PYCR1 (0.57) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL4230681 0.79 LOXL2 (0.55) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL4521415 0.79 PYCR1 (0.57) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL11689839 0.76 LOXL2 (0.52) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL16246201 0.76 LOXL2 (0.57) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL971348 0.76 LOXL2 (0.61) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL8094050 0.75 POLB (0.76) LOXL2TSHRIDO1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160396-B1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES INC (US) 2018-11-21 EP disclosed
EP-2476689-B1 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES INC (US) 2015-10-21 EP disclosed
US-9067961-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2015-06-30 US disclosed
CN-101784556-B Thiocarbon-protecting groups for rna synthesis AGILENT TECHNOLOGIES INC 2014-07-09 CN disclosed
US-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-09-20 US disclosed
EP-2476689-A1 Thiocarbon-protecting groups for RNA synthesis Agilent Technologies, Inc. (US) 2012-07-18 EP disclosed
US-8202983-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
CN-101784556-A thiocarbon-protecting groups for rna synthesis AGILENT TECHNOLOGIES INC 2010-07-21 CN disclosed
EP-2160396-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS Agilent Technologies, Inc. (US) 2010-03-10 EP disclosed
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2009-08-20 US disclosed
WO-2008141248-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2008-11-20 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 (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-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 LOXL2 4389/4885TSHR 3691/4885IDO1 1145/4885
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 LOXL2 4389/4885TSHR 3691/4885IDO1 1145/4885

“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.