SCHEMBL4444182

SCHEMBL4444182

COc1cc(C)cc(Cl)c1C1=C(OS(C)(=O)=O)C2(CCOCC2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 2/20 0.30
PTGS1 P23219 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
SCHEMBL12270078 0.90 PDE7A (0.39) TSHRKMT2APTGS2PTGS1
SCHEMBL4453947 0.82 ACACB (0.41) TSHR
SCHEMBL13244218 0.77 KMT2A (0.33) TSHRSMN1; SMN2KMT2A
SCHEMBL12702912 0.76 PDE7A (0.35) SMN1; SMN2KMT2A
SCHEMBL4442187 0.71 PDE7A (0.43) KMT2A
SCHEMBL14395168 0.71
SCHEMBL13117853 0.70 ACACB (0.41)
SCHEMBL12362055 0.70 KMT2A (0.30) KMT2A
SCHEMBL12381716 0.70 ATM (0.33)
SCHEMBL12724476 0.70 ACACB (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732930-B1 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2012-05-02 EP disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 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 (2 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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E TSHR 3112/4885SMN1; SMN2 4169/4885KMT2A 367/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E TSHR 3112/4885SMN1; SMN2 4169/4885KMT2A 367/4885

“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.