SCHEMBL3780649

SCHEMBL3780649

COc1ccc2ncc(=O)n(CC(NC(=O)OC(C)(C)C)C(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
PTPN1 P18031 2/20 0.40
DYRK1A Q13627 1/20 0.40
BRD4 O60885 1/20 0.40
ACE P12821 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL3405061 1.00 PPARG (0.45) PPARGPPARAKDM4EALDH1A1ITGA4
SCHEMBL3779719 0.92 KDM4E (0.43) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL3406590 0.92 KDM4E (0.43) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL603591 0.78 PIK3CA (0.46) KDM4EALDH1A1
SCHEMBL603590 0.78 PIK3CA (0.46) KDM4EALDH1A1
SCHEMBL15850919 0.75 KCNA5 (0.43) KDM4EALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL12065370 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10285563 0.73 KCNH2 (0.58)
SCHEMBL15850921 0.72 HTR1A (0.41) KDM4EALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL3403656 0.72 KMO (0.57) KDM4EALDH1A1HPGDDYRK1AMTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254887-B9 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-29 EP disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
EP-2254887-B1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US 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-20100331308-A1 OXAZOLIDINONE DERIVATIVES OXA1L, UQCRB, O60361 PPARG 1724/4885PPARA 1356/4885KDM4E 2765/4885

“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.