SCHEMBL15877751

SCHEMBL15877751

CC(C)(C)[Si](OC[C@H]1CO[C@@H](CO)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.38
SMYD2 Q9NRG4 2/20 0.36
GAA P10253 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GBA1 P04062 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CHI3L1 P36222 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHIT1 Q13231 1/20 0.33
CHIA Q9BZP6 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
SCHEMBL31409894 1.00 MGAM (0.38) MGAMSMYD2GAASIGMAR1GBA1
SCHEMBL17894245 1.00 MGAM (0.38) MGAMSMYD2GAASIGMAR1GBA1
SCHEMBL15872554 0.88 SIGMAR1 (0.37) MGAMGAASIGMAR1GBA1DRD2
SCHEMBL17895160 0.82 SMYD2 (0.38) MGAMSMYD2
SCHEMBL18170201 0.81 DRD2 (0.39) MGAMSMYD2GAASIGMAR1GBA1
SCHEMBL17005443 0.81 SIGMAR1 (0.44) SIGMAR1GBA1DRD2DRD3
SCHEMBL7328073 0.79 MAPT (0.40) MGAMSMYD2SIGMAR1GBA1
SCHEMBL10417697 0.79 MAPT (0.40) MGAMSMYD2SIGMAR1GBA1
SCHEMBL14636816 0.79 SRC (0.38) SMYD2
SCHEMBL17895054 0.79 SRC (0.38) SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 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 (4 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 MGAM 3376/4885SMYD2 2906/4885GAA 1142/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN MGAM 2315/4885SMYD2 1706/4885GAA 993/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN MGAM 2315/4885SMYD2 1706/4885GAA 993/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 MGAM 3552/4885SMYD2 2857/4885GAA 1170/4885

“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.