SCHEMBL13047732

SCHEMBL13047732

Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)C[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.35
DYRK1A Q13627 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
POLQ O75417 1/20 0.32
CHRM4 P08173 1/20 0.31
PIM1 P11309 1/20 0.31
LMNA P02545 1/20 0.31
PTGES O14684 2/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
PI4KB Q9UBF8 3/20 0.30
PIK3CD O00329 1/20 0.30
PIK3C2A O00443 1/20 0.30
PIK3C2B O00750 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
SCHEMBL13074993 0.90 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13048232 0.89 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074937 0.89 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13047957 0.88 DYRK1A (0.34) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL18568993 0.85 PIK3CG (0.38) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL290519 0.85 DYRK1A (0.39) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL13047720 0.84 DYRK1A (0.43) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL13047685 0.83 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL13047738 0.83 LIPG (0.37) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19
SCHEMBL13074916 0.82 PIK3CG (0.35) PIK3CGDYRK1ACYP1A2CYP3A4CYP2C19

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 17 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
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 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 (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 3841/4885CYP1A2 327/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885CYP1A2 327/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885CYP1A2 327/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 PIK3CG 795/4885DYRK1A 3841/4885CYP1A2 327/4885

“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.