SCHEMBL3551297

SCHEMBL3551297

C[C@@](O)(Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.45
ENPP2 Q13822 1/20 0.44
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
OPRK1 P41145 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
DRD1 P21728 2/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
IDO1 P14902 1/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
BLM P54132 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL5174907 1.00 CTBP2 (0.45) CTBP2ENPP2DRD2DRD3OPRK1
SCHEMBL27647339 1.00 CTBP2 (0.45) CTBP2ENPP2DRD2DRD3OPRK1
SCHEMBL29053361 0.84 CTBP2 (0.46) CTBP2ENPP2DRD2DRD3OPRK1
SCHEMBL2165273 0.83 CTBP2 (0.47) CTBP2IDO1GRM2GRM3TAAR1
SCHEMBL2165272 0.83 CTBP2 (0.47) CTBP2IDO1GRM2GRM3TAAR1
SCHEMBL586073 0.81 BLM (0.65) CTBP2ENPP2DRD2DRD3OPRK1
SCHEMBL586074 0.81 BLM (0.65) CTBP2ENPP2DRD2DRD3OPRK1
SCHEMBL1275761 0.81 SMN1; SMN2 (0.55) TAAR1BLMCYP1A2CYP3A4ALDH1A1
SCHEMBL3361395 0.81 SMN1; SMN2 (0.55) TAAR1BLMCYP1A2CYP3A4ALDH1A1
SCHEMBL180161 0.81 SMN1; SMN2 (0.55) TAAR1BLMCYP1A2CYP3A4ALDH1A1

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 11 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
CN-100451008-C Antidiabetic oxazolidinediones and thiazolidinediones MERCK & CO INC (US) 2009-01-14 CN disclosed
EP-1909789-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-16 EP disclosed
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1709014-B1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2007-05-30 EP disclosed
WO-2007018956-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-02-15 WO disclosed
CN-1910163-A Antidiabetic oxazolidinediones and thiazolidinediones MERCK & CO INC (US) 2007-02-07 CN disclosed
EP-1709014-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2006-10-11 EP disclosed
WO-2005070905-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2005-08-04 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 (3 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-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG CTBP2 1712/4885ENPP2 2212/4885DRD2 291/4885
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG CTBP2 1475/4885ENPP2 2231/4885DRD2 298/4885
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones PPARD, PPARA, PPARG CTBP2 2520/4885ENPP2 2931/4885DRD2 510/4885

“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.