SCHEMBL16737879

SCHEMBL16737879

Cc1cc(Br)ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@H]2CCOC2)c(CN(C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
S1PR3 Q99500 1/20 0.31
PTGER1 P34995 1/20 0.31
RIPK1 Q13546 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EGFR P00533 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL16737797 1.00 CTSL (0.32) CTSLCTSSCTSKPTGDR2AAK1
SCHEMBL16737900 0.92 CTSL (0.32) CTSLCTSSCTSKPTGDR2AAK1
SCHEMBL16737899 0.92 CTSL (0.32) CTSLCTSSCTSKPTGDR2AAK1
SCHEMBL16737939 0.92 CTSL (0.32) CTSLCTSSCTSKPTGDR2AAK1
SCHEMBL16747622 0.89 CTSL (0.36) CTSLCTSSCTSKPTGDR2AAK1
SCHEMBL16747641 0.89 CTSL (0.36) CTSLCTSSCTSKPTGDR2AAK1
SCHEMBL16738020 0.84 HTT (0.34) PTGDR2AAK1HTTL3MBTL1ALDH1A1
SCHEMBL16737685 0.78 PTGDR2 (0.33) PTGDR2AAK1NPC1RAB9A
SCHEMBL16737686 0.78 PTGDR2 (0.33) PTGDR2AAK1NPC1RAB9A
SCHEMBL16744732 0.76 PDE4D (0.38) CTSLCTSSCTSKPTGDR2S1PR3

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 CTSL 199/4885CTSS 432/4885CTSK 214/4885

“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.