SCHEMBL3554183

SCHEMBL3554183

CCCc1cc(-c2nn(C)c3cc(Cl)ccc23)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
PPARG P37231 7/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
GUCY1A1 Q02108 4/20 0.31
GUCY1B1 Q02153 4/20 0.31
NAMPT P43490 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
IDO1 P14902 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
SCHEMBL13114536 0.92 NAMPT (0.36) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3553128 0.91 NR1H2 (0.36) NR1H2NR1H3PPARGNAMPTKDM4E
SCHEMBL3551384 0.86 MAP2K4 (0.36) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3548104 0.85 PPARG (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3544800 0.85 PPARG (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3553672 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5822442 0.80 PPARG (0.47) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL5630819 0.80 PPARG (0.47) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL5175221 0.80 PPARG (0.47) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13114535 0.79 NAMPT (0.35) NR1H2NR1H3PPARGPPARDPPARA

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 NR1H2 17/4885NR1H3 42/4885PPARG 3/4885

“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.