SCHEMBL1259192

SCHEMBL1259192

CC(C)(C)OC(=O)Nc1ccc(C2=NOC(c3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.51
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
CYP17A1 P05093 2/20 0.44
P2RY14 Q15391 1/20 0.44
BCL2 P10415 4/20 0.43
BECN1 Q14457 4/20 0.43
PSMB8 P28062 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK10 P53779 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
SCHEMBL31341226 0.86 KMT2A (0.54) S1PR1KMT2A
SCHEMBL1138925 0.78 EPHX2 (0.59) HTTMAPTCYP17A1P2RY14MEN1
SCHEMBL18099067 0.76 S1PR1 (0.42) S1PR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18099063 0.76 S1PR1 (0.42) S1PR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL7371723 0.75 CYP17A1 (0.46) MAPTCYP17A1BCL2BECN1PSMB8
SCHEMBL1257980 0.75 KIF11 (0.49) S1PR1HTT
SCHEMBL7371172 0.74 MIF (0.62) CYP17A1
SCHEMBL31341198 0.73 KMT2A (0.58) KMT2A
SCHEMBL30929531 0.72 EPHX2 (0.51) HTTMAPTCYP17A1P2RY14SMN1; SMN2
SCHEMBL8625942 0.72 CYP17A1 (0.45) MAPTCYP17A1BCL2BECN1PSMB8

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
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (6 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP S1PR1 4062/4885HTT 270/4885MAPT 2297/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS S1PR1 2076/4885HTT 2567/4885MAPT 3378/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS S1PR1 2076/4885HTT 2567/4885MAPT 3378/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC S1PR1 2620/4885HTT 1008/4885MAPT 3486/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS S1PR1 2076/4885HTT 2567/4885MAPT 3378/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 S1PR1 1346/4885HTT 3250/4885MAPT 4057/4885

“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.