SCHEMBL963260

SCHEMBL963260

CC/C(=C\c1c(C)nn(C)c1-n1ccc2cnccc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
TGFBR1 P36897 6/20 0.33
MKNK2 Q9HBH9 3/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSP90AA1 P07900 1/20 0.32
SLC22A12 Q96S37 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
ELANE P08246 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
SCHEMBL963262 1.00 TBXAS1 (0.36) TBXAS1RAPGEF4TGFBR1MKNK2CDC7
SCHEMBL964750 0.92 MAPT (0.38) TBXAS1RAPGEF4CDC7CDK2
SCHEMBL964752 0.92 MAPT (0.38) TBXAS1RAPGEF4CDC7CDK2
SCHEMBL963207 0.86 PHGDH (0.36) TBXAS1
SCHEMBL963205 0.86 PHGDH (0.36) TBXAS1
SCHEMBL962735 0.84 ROCK1 (0.34) RAPGEF4HSP90AA1
SCHEMBL962734 0.84 ROCK1 (0.34) RAPGEF4HSP90AA1
SCHEMBL966083 0.83 MAPT (0.36)
SCHEMBL966082 0.83 MAPT (0.36)
SCHEMBL964446 0.82 CDC7 (0.34) CDC7CDK2

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 TBXAS1 1574/4885RAPGEF4 952/4885TGFBR1 734/4885

“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.