SCHEMBL3634170

SCHEMBL3634170

O=[C]SCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
IDO1 P14902 5/20 0.48
TAAR1 Q96RJ0 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
PNMT P11086 1/20 0.46
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 1/20 0.41
DAO P14920 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
SCHEMBL29704539 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2935836 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL1149876 0.77 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL3673783 0.77 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL13938761 0.74 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL3634558 0.74 TAAR1 (0.45) IDO1TAAR1SMN1; SMN2LMNAKMT2A
SCHEMBL515041 0.73 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL22430855 0.73 IDO1 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4264261 0.73 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL9976780 0.73 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9

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 9 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
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
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 CYP1A2 4005/4885CYP3A4 3732/4885CYP2C19 4284/4885
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 CYP1A2 4005/4885CYP3A4 3732/4885CYP2C19 4284/4885

“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.