SCHEMBL962824

SCHEMBL962824

CC/C(=C\c1c(C)nn(C)c1-n1cc(Cl)c2cccnc21)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 11/20 0.34
RORC P51449 2/20 0.33
TNKS O95271 1/20 0.33
TBXAS1 P24557 2/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL962825 1.00 ELANE (0.37) ELANEL3MBTL1PTGDR2RORCTNKS
SCHEMBL965366 0.90 L3MBTL1 (0.34) ELANEL3MBTL1PTGDR2TBXAS1KDM5A
SCHEMBL965368 0.90 L3MBTL1 (0.34) ELANEL3MBTL1PTGDR2TBXAS1KDM5A
SCHEMBL964006 0.85 ALDH1A1 (0.34) L3MBTL1RORC
SCHEMBL964008 0.85 ALDH1A1 (0.34) L3MBTL1RORC
SCHEMBL963133 0.82 L3MBTL1 (0.48) ELANEL3MBTL1PTGDR2RORCTNKS
SCHEMBL963132 0.82 L3MBTL1 (0.48) ELANEL3MBTL1PTGDR2RORCTNKS
SCHEMBL963252 0.81 ELANE (0.39) ELANEL3MBTL1RORCTNKS
SCHEMBL962302 0.81 PARP1 (0.38) L3MBTL1TBXAS1
SCHEMBL962301 0.81 PARP1 (0.38) L3MBTL1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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 (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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ELANE 3595/4885L3MBTL1 3858/4885PTGDR2 295/4885

“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.