SCHEMBL17700804

SCHEMBL17700804

C[C@H](CC(=O)Nc1ccc(OC(F)F)c(CN(C)C(=O)OCC[Si](C)(C)C)c1)c1cc(B(O)O)ccc1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNB1 Q14721 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP19A1 P11511 1/20 0.32
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX4 Q99571 1/20 0.31
C5AR1 P21730 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
SCHEMBL17700805 1.00 LMNA (0.36) LMNAMAPTKCNA5KCNH2KCNB1
SCHEMBL16293430 0.91 LRRK2 (0.38) LMNAMAPTKCNA5KCNH2KCNB1
SCHEMBL16293431 0.91 LRRK2 (0.38) LMNAMAPTKCNA5KCNH2KCNB1
SCHEMBL16294814 0.87 CYP19A1 (0.34) NR1H4CYP19A1RAB9AP2RX4
SCHEMBL16294816 0.87 CYP19A1 (0.34) NR1H4CYP19A1RAB9AP2RX4
SCHEMBL17700720 0.87 CYP19A1 (0.34) NR1H4CYP19A1RAB9AP2RX4
SCHEMBL17700798 0.84 F7 (0.37) LMNAMAPTKDM4EALDH1A1CYP19A1
SCHEMBL17700797 0.84 F7 (0.37) LMNAMAPTKDM4EALDH1A1CYP19A1
SCHEMBL16293781 0.78 LRRK2 (0.35) LMNACYP19A1L3MBTL1P2RX4
SCHEMBL16294815 0.78 LRRK2 (0.35) LMNACYP19A1L3MBTL1P2RX4

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 LMNA 963/4885MAPT 4625/4885KCNA5 1944/4885

“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.