SCHEMBL13282972

SCHEMBL13282972

CCCc1cc(-c2n[nH]c3cc(O)ccc23)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 4/20 0.40
JAK3 P52333 4/20 0.40
CDK4 P11802 5/20 0.37
CCNA2 P20248 5/20 0.37
CCND1 P24385 5/20 0.37
CDK2 P24941 5/20 0.37
CCND3 P30281 5/20 0.37
FGFR1 P11362 4/20 0.37
CHEK1 O14757 1/20 0.37
KDR P35968 1/20 0.37
PDPK1 O15530 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PPARG P37231 6/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
FGFR2 P21802 2/20 0.34
FGFR3 P22607 2/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL13114534 0.91 PPARG (0.39) PPARGPPARDPPARAFGFR2FGFR3
SCHEMBL3540909 0.91 PPARG (0.37) JAK2JAK1TYK2JAK3FGFR1
SCHEMBL13282969 0.87 FGFR1 (0.41) JAK2JAK1TYK2JAK3CDK4
SCHEMBL3545012 0.86 PPARG (0.40) PPARGPPARDPPARA
SCHEMBL13282971 0.85 PPARG (0.34) PPARGPPARDPPARAESR1ESR2
SCHEMBL13255234 0.79 PPARG (0.37) PPARGPPARDPPARA
SCHEMBL3547487 0.79 PPARG (0.48) PPARGPPARDPPARAESR1ESR2
SCHEMBL3546532 0.79 PPARG (0.46) PPARGPPARDPPARAESR1ESR2
SCHEMBL13134449 0.79 PPARG (0.41) PPARGPPARDPPARA
SCHEMBL13114535 0.79 NAMPT (0.35) PPARGPPARDPPARA

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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG JAK2 222/4885JAK1 1192/4885TYK2 757/4885

“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.