SCHEMBL19714744

SCHEMBL19714744

CC(C)(C)COC(=O)C1(C)CCCN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
GRM5 P41594 2/20 0.31
ACACB O00763 2/20 0.31
TSHR P16473 2/20 0.31
FSHR P23945 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL14638312 0.84 KMT2A (0.41) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL12306235 0.79 FFAR3 (0.36) TSHRFSHRCYP3A4KMT2AMEN1
SCHEMBL28111563 0.79 SMN1; SMN2 (0.38) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL16797890 0.79 USP2 (0.37) GRM5TSHRL3MBTL1CYP3A4CYP2C19
SCHEMBL12306234 0.78 TSHR (0.36) TSHRFSHRCYP3A4KMT2AMEN1
SCHEMBL25269622 0.74 FFAR3 (0.44) GRM5TSHRL3MBTL1CYP3A4CYP2C19
SCHEMBL7018317 0.74 FFAR3 (0.44) GRM5TSHRL3MBTL1CYP3A4CYP2C19
SCHEMBL25268918 0.74 FFAR3 (0.44) GRM5TSHRL3MBTL1CYP3A4CYP2C19
SCHEMBL30453762 0.72 HPGD (0.39) ACACBL3MBTL1KMT2AMEN1NPC1
SCHEMBL30453434 0.72 HPGD (0.39) ACACBL3MBTL1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 HSD11B1 3294/4885GRM5 2643/4885ACACB 1671/4885

“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.