SCHEMBL16747640

SCHEMBL16747640

COC[C@H](C)Oc1c(F)cc(NC(=O)OC[C@H](C)c2ccc(Br)cc2C)cc1CNC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KCNA5 P22460 3/20 0.36
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MGLL Q99685 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL16747620 0.91 AAK1 (0.39) HTTL3MBTL1AAK1KDM4EALDH1A1
SCHEMBL16738020 0.88 HTT (0.34) HTTL3MBTL1AAK1KDM4EALDH1A1
SCHEMBL16747622 0.83 CTSL (0.36) HTTL3MBTL1AAK1KDM4EALDH1A1
SCHEMBL16747641 0.83 CTSL (0.36) HTTL3MBTL1AAK1KDM4EALDH1A1
SCHEMBL16737685 0.80 PTGDR2 (0.33) AAK1PTGDR2NPC1RAB9AMGLL
SCHEMBL16737797 0.72 CTSL (0.32) HTTL3MBTL1AAK1ALDH1A1SMN1; SMN2
SCHEMBL16737879 0.72 CTSL (0.32) HTTL3MBTL1AAK1ALDH1A1SMN1; SMN2
SCHEMBL31188097 0.72 LMNA (0.50) HTTL3MBTL1AAK1KDM4EALDH1A1
SCHEMBL16737793 0.70 PTGDR2 (0.33) L3MBTL1AAK1PTGDR2
SCHEMBL16737792 0.70 PTGDR2 (0.33) L3MBTL1AAK1PTGDR2

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 HTT 4371/4885L3MBTL1 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.