SCHEMBL3695671

SCHEMBL3695671

CC(C)(C)OC(=O)n1ncc2c(Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAP2K4 P45985 1/20 0.40
SCN9A Q15858 3/20 0.40
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PAK1 Q13153 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
SCN5A Q14524 1/20 0.40
NOTUM Q6P988 1/20 0.39
TP53 P04637 2/20 0.39
STS P08842 1/20 0.39
ELANE P08246 1/20 0.38
MEN1 O00255 2/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL1161618 0.84 NPC1 (0.52) KMT2ANPC1RAB9ATP53MEN1
SCHEMBL1743109 0.84 MAP2K4 (0.41) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL21223059 0.83 MAP2K4 (0.47) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL2478647 0.83 MAP2K4 (0.45) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL30376133 0.83 NPC1 (0.46) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL17632197 0.83 NPC1 (0.46) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL29510728 0.83 MAP2K4 (0.45) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL29248158 0.83 MAP2K4 (0.39) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL15122854 0.83 FAAH (0.43) KMT2ANPC1RAB9AMAP2K4SCN9A
SCHEMBL30991736 0.83 MAP2K4 (0.39) KMT2ANPC1RAB9AMAP2K4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
CN-102361878-A Process for preparing boronic acid ester compounds SUMITOMO CHEMICAL CO 2012-02-22 CN 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK KMT2A 1372/4885NPC1 759/4885RAB9A 1007/4885

“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.