SCHEMBL3226253

SCHEMBL3226253

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)O)n1.COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KCNA3 P22001 1/20 0.41
THRB P10828 1/20 0.41
CYSLTR1 Q9Y271 2/20 0.40
PPARG P37231 2/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3218635 0.85 GAA (0.45) GAAKCNA3THRBCYSLTR1PPARG
Flupyrsulfuron SCHEMBL3220772 0.84 GAA (0.47) GAAKCNA3THRBCYSLTR1PPARG
SCHEMBL3225612 0.84 GAA (0.46) GAAKCNA3THRBCYSLTR1PPARG
SCHEMBL3262147 0.84 GAA (0.49) GAAKCNA3THRBCYSLTR1PPARG
Ethoxysulfuron SCHEMBL3221565 0.83 GAA (0.45) GAATHRBCYSLTR1PPARGEPHX2
SCHEMBL3228011 0.83 GAA (0.43) GAAKCNA3THRBCYSLTR1PPARG
SCHEMBL3207655 0.82 GAA (0.45) GAATHRBALDH1A1RXFP1MAPT
Halosulfuron SCHEMBL3228102 0.82 GAA (0.44) GAAKCNA3THRBCYSLTR1PPARG
Rimsulfuron SCHEMBL3229754 0.82 GAA (0.46) GAAKCNA3THRBCYSLTR1PPARG
Sulfometuron SCHEMBL3226563 0.81 THRB (0.50) GAAKCNA3THRBCYSLTR1PPARG

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 430/4885KCNA3 1522/4885THRB 1179/4885
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate LIPA, MGLL, ABHD6 GAA 305/4885KCNA3 4830/4885THRB 2225/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A GAA 1835/4885KCNA3 3382/4885THRB 2372/4885

“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.