SCHEMBL14289672

SCHEMBL14289672

COc1cc(C(=O)NCC(NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc(OC)c1Oc1cccc2c1nc(N)n2C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGAV P06756 7/20 0.43
SYK P43405 1/20 0.38
MAOA P21397 1/20 0.37
ITGA2B P08514 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
TPH1 P17752 1/20 0.35
TPH2 Q8IWU9 1/20 0.35
SLC6A5 Q9Y345 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
SCHEMBL8043850 1.00 ITGB3 (0.43) ITGB3ITGAVSYKMAOAITGA2B
SCHEMBL8032379 0.92 ITGB3 (0.46) ITGB3ITGAVITGA2BITGA4ITGB7
SCHEMBL30963677 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL8050913 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL8047151 0.73 ITGB3 (0.59) ITGB3ITGAV
SCHEMBL8250283 0.72 ITGB3 (0.51) ITGB3ITGAV
SCHEMBL3897638 0.69 SYK (0.72) SYK
SCHEMBL5176163 0.68 SYK (0.49) SYK
SCHEMBL15372523 0.67 ITGB3 (0.40) ITGB3ITGAVSYKMAOAITGA2B
SCHEMBL6481226 0.67 ITGB3 (0.41) ITGB3ITGAVSYKMAOAITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 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-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB ITGB3 672/4885ITGAV 1292/4885SYK 3001/4885

“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.