SCHEMBL3547985

SCHEMBL3547985

C[C@]1(c2cccc(O)c2)OC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.46
DRD1 P21728 1/20 0.43
HTR6 P50406 1/20 0.43
HCAR2 Q8TDS4 5/20 0.40
OPRD1 P41143 2/20 0.40
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
OPRK1 P41145 1/20 0.38
PPARG P37231 2/20 0.37
HCAR3 P49019 3/20 0.37
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4949257 0.83 HCAR2 (0.52) PTGER3HCAR2CYP3A4PPARGHCAR3
SCHEMBL6237090 0.79 MMP2 (0.47) PTGER3HCAR2ALDH1A1CYP1A2PPARG
SCHEMBL14261711 0.77 PPARG (0.43) PTGER3HCAR2CYP3A4PPARGHCAR3
SCHEMBL13114561 0.72 ENPP2 (0.40) PTGER3DRD1CYP3A4ALDH1A1CYP1A2
SCHEMBL16504385 0.68 OPRD1 (0.38) DRD1HTR6HCAR2OPRD1CYP3A4
SCHEMBL11252718 0.67 PTGER3 (0.46) PTGER3HTR6CYP3A4PPARGCYP2C8
SCHEMBL14261714 0.66 PPARG (0.43) PTGER3HTR6PPARG
SCHEMBL28980719 0.65 OPRK1 (0.43) OPRD1CYP3A4ALDH1A1OPRK1
SCHEMBL11094948 0.65 AKR1B1 (0.65) DRD1HTR6CYP3A4ALDH1A1CYP2C9
SCHEMBL6447121 0.64 OPRD1 (0.73) OPRD1CYP3A4ALDH1A1OPRK1

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 PTGER3 526/4885DRD1 720/4885HTR6 1403/4885

“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.