SCHEMBL17700656

SCHEMBL17700656

COc1ccc(B(O)O)cc1COCC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(CN(C)C(=O)OCC[Si](C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
PTBP1 P26599 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL16294538 0.91 LMNA (0.41) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL16294225 0.90 LMNA (0.36) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL16294916 0.88 CACNA1H (0.33) MAPTALDH1A1MEN1KMT2A
SCHEMBL16293529 0.83 GAA (0.36) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL16293439 0.82 P2RX4 (0.32) L3MBTL1MEN1KMT2A
SCHEMBL16293461 0.82 CYP19A1 (0.35)
SCHEMBL16294666 0.81 LMNA (0.30) SMN1; SMN2LMNA
SCHEMBL16293336 0.81 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL17700725 0.81 LMNA (0.35) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17700765 0.81 LMNA (0.42) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1

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 MAPT 4625/4885SMN1; SMN2 2965/4885ALDH1A1 2603/4885

“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.