SCHEMBL3219602

SCHEMBL3219602

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1.COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CYSLTR1 Q9Y271 4/20 0.34
PPARG P37231 2/20 0.34
EPHX2 P34913 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CFTR P13569 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL3225612 0.88 GAA (0.46) GAACYSLTR1PPARGEPHX2THRB
Halosulfuron SCHEMBL3228102 0.83 GAA (0.44) GAACYSLTR1PPARGEPHX2THRB
SCHEMBL55386 0.81 GAA (0.49) GAACYP1A2MAPTKMT2ANLRP3
SCHEMBL3262147 0.79 GAA (0.49) GAACYSLTR1PPARGEPHX2THRB
Sulfosulfuron SCHEMBL3228512 0.77 GAA (0.43) GAACYSLTR1PPARGEPHX2THRB
SCHEMBL3226253 0.77 GAA (0.46) GAACYSLTR1PPARGEPHX2THRB
Bensulfuron Methyl SCHEMBL8569580 0.77 GAA (0.40) GAAMEN1ALDH1A1MAPTTSHR
SCHEMBL9878291 0.76 GAA (0.44) GAAALDH1A1LMNACYP1A2MAPT
SCHEMBL3207655 0.76 GAA (0.45) GAATHRBALDH1A1LMNAMAPT
SCHEMBL3218635 0.76 GAA (0.45) GAACYSLTR1PPARGEPHX2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234227-A1 MICROEMULSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate BAYER CROPSCIENCE AG (DE) 2008-07-24 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 (3 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-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES DDT, DCPS, TYMP GAA 430/4885CYSLTR1 4771/4885PPARG 253/4885
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate LIPA, MGLL, ABHD6 GAA 305/4885CYSLTR1 4056/4885PPARG 203/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A GAA 1835/4885CYSLTR1 4309/4885PPARG 34/4885

“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.