SCHEMBL3550125

SCHEMBL3550125

CCCc1ccccc1Oc1cccc([C@@](C)(O)C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
P2RX4 Q99571 1/20 0.41
HRH1 P35367 1/20 0.40
RIPK1 Q13546 1/20 0.39
SLC1A5 Q15758 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 1/20 0.37
MTNR1B P49286 1/20 0.37
CTNNB1 P35222 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL3550995 0.89 AR (0.44) ARP2RX4HRH1RIPK1SLC1A5
SCHEMBL5176042 0.84 PPARG (0.45) P2RX4PPARDSLC6A4LTB4RLTB4R2
SCHEMBL3544497 0.81 ALDH1A1 (0.44) NPSR1PPARDMTNR1BLTB4RLTB4R2
SCHEMBL3544496 0.81 ALDH1A1 (0.44) NPSR1PPARDMTNR1BLTB4RLTB4R2
SCHEMBL6938403 0.76 AR (0.49) ARHRH1RIPK1SLC6A2SLC6A4
SCHEMBL8431833 0.74 MAOB (0.51) ARHRH1RIPK1SLC6A2SLC6A4
SCHEMBL5175479 0.73 PPARG (0.46) PPARD
SCHEMBL14266929 0.71 RIPK1 (0.46) ARP2RX4HRH1RIPK1NPSR1
SCHEMBL29815703 0.71 HRH1 (0.67) ARHRH1RIPK1SLC6A2SLC6A4
SCHEMBL1696335 0.71 HRH1 (0.67) ARHRH1RIPK1SLC6A2SLC6A4

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 9 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
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 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-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO 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 (2 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 AR 1246/4885P2RX4 2571/4885HRH1 1481/4885
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones PPARD, PPARA, PPARG AR 1305/4885P2RX4 2319/4885HRH1 1314/4885

“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.