SCHEMBL2747015

SCHEMBL2747015

Cc1nn(C)c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(NC2CC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
MELK Q14680 4/20 0.32
POLB P06746 1/20 0.31
TYK2 P29597 1/20 0.31
LRRK2 Q5S007 1/20 0.31
NMT1 P30419 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL10035232 0.87 L3MBTL1 (0.32) NMT1L3MBTL1
SCHEMBL10035241 0.86 PTGER4 (0.33) LRRK2
SCHEMBL10035236 0.84 L3MBTL1 (0.31) LRRK2L3MBTL1
SCHEMBL10035229 0.83 KDM4E (0.31) POLBL3MBTL1
SCHEMBL10035234 0.82 ABCB1 (0.36)
SCHEMBL1780784 0.82 PDE4B (0.34) MELKTYK2LRRK2CDK1CDK4
SCHEMBL14124696 0.81 ALDH1A1 (0.32)
SCHEMBL14124742 0.81 ABCB1 (0.33)
SCHEMBL2747608 0.80 CDK8 (0.32) L3MBTL1
SCHEMBL4584263 0.80 NR3C1 (0.34) L3MBTL1

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-8178695-B2 Applying to unwanted plants or weeds; controlling broadleaf plants BAYER CROPSCIENCE AG (DE) 2012-05-15 US disclosed
US-20080254990-A1 4-(3-Aminobenzoyl)-1,3-dimethylpyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2008-10-16 US disclosed
EP-1980555-A1 4-(3-aminobenzoyl)-1.3-dimethyl pyrazoles and their application as herbicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-15 EP 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 (1 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-20080254990-A1 4-(3-Aminobenzoyl)-1,3-dimethylpyrazoles and their use as herbicides DDT, TH, ABAT FPR2 2945/4885PROKR1 4219/4885MELK 1061/4885

“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.