SCHEMBL2743436

SCHEMBL2743436

[NH]NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
SRD5A2 P31213 1/20 0.53
PTGS1 P23219 3/20 0.53
TRPV1 Q8NER1 3/20 0.53
MMP1 P03956 1/20 0.53
GSK3B P49841 2/20 0.52
PTPN1 P18031 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
RORC P51449 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL5178462 0.81 CES2 (0.59) CES2
SCHEMBL4174548 0.80 CES2 (0.64) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL14880225 0.80 CES2 (0.64) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL349343 0.79 CES2 (0.70) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL8578258 0.78 CES2 (0.61) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL19075433 0.78 CES2 (0.61) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL28800304 0.78 CES2 (0.61) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL3655196 0.78 CES2 (0.61) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL182755 0.78 CES2 (0.61) CES2CES1SRD5A2PTGS1TRPV1
SCHEMBL6495770 0.78 CES2 (0.61) CES2CES1SRD5A2PTGS1TRPV1

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 14 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-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US 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
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US 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
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 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 (5 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 CES2 116/4885CES1 242/4885SRD5A2 1947/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CES2 707/4885CES1 1301/4885SRD5A2 3550/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CES2 707/4885CES1 1301/4885SRD5A2 3550/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 CES2 4699/4885CES1 1648/4885SRD5A2 833/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CES2 707/4885CES1 1301/4885SRD5A2 3550/4885

“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.