SCHEMBL16737792

SCHEMBL16737792

COCCCOc1c(F)cc(NC(=O)OC[C@H](C)c2ccc(B(O)O)cc2C)cc1CN(C)C(=O)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
REN P00797 1/20 0.31

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
SCHEMBL16737793 1.00 PTGDR2 (0.33) PTGDR2L3MBTL1AAK1REN
SCHEMBL16737685 0.91 PTGDR2 (0.33) PTGDR2AAK1
SCHEMBL16737686 0.91 PTGDR2 (0.33) PTGDR2AAK1
SCHEMBL16737939 0.84 CTSL (0.32) PTGDR2AAK1
SCHEMBL16737900 0.84 CTSL (0.32) PTGDR2AAK1
SCHEMBL16737899 0.84 CTSL (0.32) PTGDR2AAK1
SCHEMBL16738020 0.83 HTT (0.34) PTGDR2L3MBTL1AAK1
SCHEMBL16747620 0.79 AAK1 (0.39) PTGDR2L3MBTL1AAK1
SCHEMBL16747638 0.79 AAK1 (0.34) AAK1
SCHEMBL16737879 0.76 CTSL (0.32) PTGDR2L3MBTL1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 PTGDR2 2234/4885L3MBTL1 3711/4885AAK1 3599/4885

“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.