SCHEMBL19697835

SCHEMBL19697835

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc4cc(-c5cnc6c(c5)nc([C@@H]5CCCN5C(=O)OC(C)(C)C)n6COCC[Si](C)(C)C)ccc4c3)ccc2n1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
CHEK2 O96017 1/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CREBBP Q92793 1/20 0.34
TP53 P04637 3/20 0.34
ALOX5AP P20292 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 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
SCHEMBL12103970 0.96 GPR119 (0.38) GPR119CHEK2WNT1GSK3BDYRK1A
SCHEMBL2756298 0.89 GPR119 (0.38) GPR119CHEK2ALDH1A1TP53MAPT
SCHEMBL1294080 0.88 USP30 (0.36) GPR119CHEK2WNT1GSK3BDYRK1A
SCHEMBL1294077 0.88 USP30 (0.36) GPR119CHEK2WNT1GSK3BDYRK1A
SCHEMBL17948032 0.86 JAK2 (0.35) GPR119CHEK2WNT1GSK3BDYRK1A
SCHEMBL240856 0.84 KMT2A (0.37) GPR119CHEK2ALDH1A1TP53MAPT
SCHEMBL240857 0.84 KMT2A (0.37) GPR119CHEK2ALDH1A1TP53MAPT
SCHEMBL2756470 0.84 TP53 (0.38) ALDH1A1TP53MAPTLMNAMEN1
SCHEMBL236869 0.84 KMT2A (0.41) ALDH1A1TP53MAPTLMNAMEN1
SCHEMBL236868 0.84 KMT2A (0.41) ALDH1A1TP53MAPTLMNAMEN1

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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL GPR119 1920/4885CHEK2 3266/4885WNT1 4625/4885

“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.