SCHEMBL864986

SCHEMBL864986

CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.57
MAPK1 P28482 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 2/20 0.50
KMT2A Q03164 2/20 0.47
MMP13 P45452 1/20 0.47
BCL2 P10415 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
HDAC1 Q13547 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL864987 1.00 YAP1 (0.57) YAP1MAPK1ITGB3ITGA2BPTPN1
SCHEMBL865572 0.92 YAP1 (0.57) YAP1MAPK1BCL2GPR119HDAC1
SCHEMBL865573 0.92 YAP1 (0.57) YAP1MAPK1BCL2GPR119HDAC1
SCHEMBL865748 0.89 YAP1 (0.45) YAP1MAPK1KMT2ABCL2GPR119
SCHEMBL865750 0.89 YAP1 (0.45) YAP1MAPK1KMT2ABCL2GPR119
SCHEMBL865749 0.89 YAP1 (0.45) YAP1MAPK1KMT2ABCL2GPR119
SCHEMBL864890 0.87 YAP1 (0.44) YAP1MAPK1KMT2AHRH2HRH1
SCHEMBL864889 0.87 YAP1 (0.44) YAP1MAPK1KMT2AHRH2HRH1
SCHEMBL864888 0.87 YAP1 (0.44) YAP1MAPK1KMT2AHRH2HRH1
SCHEMBL865253 0.85 DPP4 (0.44) YAP1MAPK1PTPN1KMT2AHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
EP-2406247-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 YAP1 3922/4885MAPK1 3641/4885ITGB3 4009/4885

“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.