SCHEMBL3549652

SCHEMBL3549652

COc1ccc2c(-c3ccc(F)c(C=O)c3)cc(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.55
KDM4E B2RXH2 8/20 0.53
HPGD P15428 7/20 0.53
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 2/20 0.53
RECQL P46063 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 2/20 0.49
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL13691929 0.81 NOD2 (0.67) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL26804667 0.81 NOD2 (0.79) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL1394741 0.78 KDM4E (0.69) KDM4EHPGDALDH1A1HSD17B10RAB9A
SCHEMBL14424527 0.78 KDM4E (0.73) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL31114282 0.76 NOD2 (0.85) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2689251 0.76 NOD2 (0.67) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL12227473 0.76 ALDH1A1 (0.68) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL14997043 0.76 ALDH1A1 (0.68) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3761477 0.75 NOD2 (0.66) NOD2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL12985924 0.75 NOD2 (0.65) NOD2KDM4EHPGDALDH1A1HSD17B10

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 5 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
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 NOD2 2926/4885KDM4E 2304/4885HPGD 552/4885

“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.