SCHEMBL17700677

SCHEMBL17700677

COc1ccc(B(O)O)cc1CCC(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)c(CN(C)C(=O)OCC[Si](C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
BRD4 O60885 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KLK7 P49862 1/20 0.34
GSTO1 P78417 1/20 0.34
MAPT P10636 3/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17700672 0.92 GSTO1 (0.32) LMNASMN1; SMN2GSTO1
SCHEMBL16293910 0.90 LMNA (0.41) LMNASMN1; SMN2BRD4KMT2AMEN1
SCHEMBL16294225 0.88 LMNA (0.36) LMNASMN1; SMN2BRD4KMT2AMEN1
SCHEMBL17700694 0.83 PTGES (0.34) LMNASMN1; SMN2KMT2AMEN1GSTO1
SCHEMBL16293439 0.79 P2RX4 (0.32) KMT2AMEN1
SCHEMBL17144781 0.78 LMNA (0.33) LMNASMN1; SMN2
SCHEMBL17700765 0.78 LMNA (0.42) LMNASMN1; SMN2BRD4KMT2AMEN1
SCHEMBL16293461 0.78 CYP19A1 (0.35) PTGDR2
SCHEMBL17700656 0.78 MAPT (0.33) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL16294666 0.77 LMNA (0.30) LMNASMN1; SMN2

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 963/4885SMN1; SMN2 2965/4885BRD4 3808/4885

“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.