SCHEMBL13048232

SCHEMBL13048232

CC(C[S+](C)[O-])C(=O)Nc1sc(-c2cncc(F)c2)nc1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.35
DYRK1A Q13627 3/20 0.34
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PIM1 P11309 1/20 0.31
PTGES O14684 2/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL13047732 0.89 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074993 0.89 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074937 0.88 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13048214 0.85 DYRK1A (0.38) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13048249 0.83 LIPG (0.37) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13047957 0.77 DYRK1A (0.34) PIK3CGDYRK1AXIAPBIRC2LIPC
SCHEMBL13048510 0.76 PTGDR2 (0.32) PIK3CGDYRK1APTGDR2LIPCLIPG
SCHEMBL13074922 0.75 PTGDR2 (0.32) PIK3CGDYRK1APTGDR2LIPCLIPG
SCHEMBL13075003 0.74 DYRK1A (0.39) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074543 0.74 DYRK1A (0.39) PIK3CGDYRK1AXIAPBIRC2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US 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 (4 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885XIAP 811/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885XIAP 811/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885XIAP 811/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885XIAP 811/4885

“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.