SCHEMBL13048613

SCHEMBL13048613

CCN(C(=O)C(C)C)c1sc(-c2cncc(F)c2)nc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35
TRPM8 Q7Z2W7 5/20 0.34
PIK3CG P48736 1/20 0.34
DYRK1A Q13627 3/20 0.34
PTGES O14684 3/20 0.33
PIM1 P11309 1/20 0.32
CYP11B2 P19099 1/20 0.31

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
SCHEMBL13048046 0.90 MLYCD (0.38) MLYCDPTGDR2TRPM8PIK3CGDYRK1A
SCHEMBL13048114 0.89 MLYCD (0.38) MLYCDPTGDR2TRPM8PIK3CGDYRK1A
SCHEMBL13048715 0.88 DYRK1A (0.33) PTGDR2TRPM8PIK3CGDYRK1A
SCHEMBL17589949 0.82 TRPM8 (0.32) PTGDR2TRPM8PIK3CGDYRK1A
SCHEMBL17589876 0.82 PTGDR2 (0.34) PTGDR2TRPM8PIK3CGDYRK1APIM1
SCHEMBL15109415 0.81 MLYCD (0.43) MLYCDPTGDR2PIK3CGDYRK1ACYP11B2
SCHEMBL13048607 0.81 DYRK1A (0.35) PTGDR2TRPM8PIK3CGDYRK1APIM1
SCHEMBL13048614 0.81 PIK3CG (0.32) PTGDR2TRPM8PIK3CGDYRK1APIM1
SCHEMBL18569325 0.79 PTGES (0.32) PTGDR2TRPM8PIK3CGDYRK1APTGES
SCHEMBL13047988 0.79 DYRK1A (0.33) PTGDR2TRPM8PIK3CGDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
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 MLYCD 401/4885PTGDR2 1142/4885TRPM8 2009/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MLYCD 401/4885PTGDR2 1142/4885TRPM8 2009/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MLYCD 401/4885PTGDR2 1142/4885TRPM8 2009/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MLYCD 401/4885PTGDR2 1142/4885TRPM8 2009/4885

“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.