SCHEMBL1017019

SCHEMBL1017019

Cc1ccc(S(=O)(=O)OC/C=C/C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
G6PD P11413 1/20 0.39
ALDH1A1 P00352 6/20 0.38
STAT3 P40763 1/20 0.38
CTSK P43235 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
VDR P11473 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL1017020 1.00 TLR9 (0.42) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL30743067 0.86 ALDH1A1 (0.40) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL29897312 0.85 TLR9 (0.43) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL7694210 0.85 G6PD (0.47) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL7694213 0.85 G6PD (0.47) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL7697212 0.85 G6PD (0.47) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL28420820 0.82 G6PD (0.42) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL1211011 0.81 G6PD (0.41) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL1211008 0.81 G6PD (0.41) TLR9G6PDALDH1A1STAT3CTSK
SCHEMBL7693741 0.81 G6PD (0.41) TLR9G6PDALDH1A1STAT3CTSK

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
US-8957226-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2015-02-17 US disclosed
US-8957226-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2015-02-17 US disclosed
US-8247595-B2 Organic sulfur compound and its use for controlling harmful arthropod SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20120021469-A1 AMIDASES AND METHODS OF THEIR USE CODEXIS, INC. (US) 2012-01-26 US disclosed
EP-2152668-B1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS SUMITOMO CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-20090318708-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes For Preparing Them And Their Uses UCB BIOPHARMA SPRL (BE) 2009-12-24 US disclosed
US-20090318708-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes For Preparing Them And Their Uses UCB BIOPHARMA SPRL (BE) 2009-12-24 US disclosed
WO-2007031263-A1 4-SUBSTITUTED PYRR0LIDIN-2-0NES AND THEIR USE UCB PHARMA, S.A. (BE) 2007-03-22 WO disclosed
EP-1150937-A1 LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS QinetiQ Limited (GB) 2001-11-07 EP disclosed
WO-2000039062-A1 LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-07-06 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 (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-20120021469-A1 AMIDASES AND METHODS OF THEIR USE ANPEP, DNPEP, NAAA TLR9 1444/4885G6PD 2994/4885ALDH1A1 4716/4885
US-20090318708-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes For Preparing Them And Their Uses PPOX, PYCR1, ALDH18A1 TLR9 4371/4885G6PD 326/4885ALDH1A1 630/4885
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD C5, L3MBTL3, C1S TLR9 3516/4885G6PD 1594/4885ALDH1A1 363/4885

“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.