SCHEMBL3552510

SCHEMBL3552510

CCCc1cc(-c2cc(=O)oc3cc(Cl)ccc23)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ACLY P53396 1/20 0.34
KCNA3 P22001 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL13283072 0.92 CA12 (0.37) PPARGCA12CA9ALDH1A1KDM4E
SCHEMBL3550118 0.91 HPGD (0.41) PPARGALDH1A1KDM4EHPGDGAA
SCHEMBL3553672 0.87 KDM4E (0.37) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL3546532 0.85 PPARG (0.46) PPARGPPARDPPARACYP2C9
SCHEMBL3540909 0.82 PPARG (0.37) PPARGPPARDPPARACYP2C9
SCHEMBL13255234 0.81 PPARG (0.37) PPARGPPARDPPARACYP2C9
SCHEMBL5175243 0.81 PPARG (0.41) PPARG
SCHEMBL5175346 0.81 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL14476393 0.80 PPARG (0.40) PPARGPPARDPPARA
SCHEMBL3554098 0.79 PTGER3 (0.39) PPARGPPARDPPARACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO 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 PPARG 3/4885CA12 4398/4885CA9 3661/4885

“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.