SCHEMBL16369907

SCHEMBL16369907

CN(C)C(=O)OC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
BTN3A1 O00481 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL16407811 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDCHRM2CHRM4
SCHEMBL6834933 0.80 ALDH1A1 (0.46) ALDH1A1BTN3A1SMN1; SMN2LMNAMAPK1
SCHEMBL16369868 0.79 ALDH1A1 (0.45) ALDH1A1BTN3A1SMN1; SMN2LMNAMAPK1
SCHEMBL16370685 0.77
SCHEMBL18484541 0.76 SIGMAR1 (0.41) ALDH1A1MAPTHPGDCHRM2CHRM4
SCHEMBL3953570 0.75 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8857208 0.72 SMN1; SMN2 (0.48) ALDH1A1BTN3A1SMN1; SMN2LMNAPOLB
SCHEMBL31447906 0.72 CCR6 (0.48) ALDH1A1MAPTHPGDBTN3A1SMN1; SMN2
SCHEMBL1896284 0.71 ALDH1A1 (0.40) ALDH1A1MAPTHPGDBTN3A1SMN1; SMN2
SCHEMBL20468465 0.71 ALDH1A1 (0.42) ALDH1A1MAPTHPGDCHRM2CHRM4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
EP-3019196-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MAPT 3132/4885HPGD 3868/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MAPT 3132/4885HPGD 3868/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 3872/4885MAPT 3548/4885HPGD 3907/4885

“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.