SCHEMBL13052290

SCHEMBL13052290

CON1CCC2(CC1)OC(=O)C(c1ccc(Cl)cc1Cl)=C2OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 3/20 0.33
AVPR1A P37288 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RGS12 O14924 1/20 0.33
GMNN O75496 1/20 0.33

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
SCHEMBL782498 0.88 HTT (0.38) PTGS2MAPTSMN1; SMN2HTTNPC1
SCHEMBL782595 0.84 PTGS2 (0.42) PTGS2SLC6A3MAPTHPGDSMN1; SMN2
SCHEMBL10287792 0.83 ACACB (0.39) PTGS2SLC6A3MAPTALDH1A1TP53
SCHEMBL12362048 0.82 PTGS2 (0.37) PTGS2MAPTHPGDSMN1; SMN2HTT
SCHEMBL732777 0.81 PTGS2 (0.37) PTGS2SLC6A3MAPTHPGD
SCHEMBL13039843 0.81 PTGS2 (0.37) PTGS2SLC6A3MAPTSMN1; SMN2NPC1
SCHEMBL12231716 0.81 PTGS2 (0.36) PTGS2MAPTHPGDSMN1; SMN2HTT
SCHEMBL13167961 0.78 OPRM1 (0.37) PTGS2NPC1RAB9APOLBCYP3A4
SCHEMBL13076982 0.78 PTGS2 (0.35) PTGS2SLC6A3
SCHEMBL12214969 0.78 PTGS2 (0.36) PTGS2SLC6A3MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432785-B1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
WO-2010133337-A1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 US disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 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-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ PTGS2 3907/4885SLC6A3 2372/4885MAPT 4229/4885
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ PTGS2 3907/4885SLC6A3 2372/4885MAPT 4229/4885

“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.