SCHEMBL9934311

SCHEMBL9934311

CC(C)(C)OC(=O)N(Cc1cccc(Br)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
LIPG Q9Y5X9 3/20 0.41
AAK1 Q2M2I8 2/20 0.40
RIPK1 Q13546 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
LPL P06858 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2595119 0.79 AAK1 (0.45) LIPGAAK1BACE1BACE2LPL
SCHEMBL15262341 0.78 LIPG (0.46) LIPGAAK1RIPK1BACE1BACE2
SCHEMBL1749553 0.78 LIPG (0.46) LIPGAAK1RIPK1BACE1BACE2
SCHEMBL3490530 0.77 LIPG (0.45) LIPGAAK1BACE1BACE2LPL
SCHEMBL24386987 0.76 LIPG (0.50) LIPGAAK1BACE1BACE2LPL
SCHEMBL29750018 0.76 LIPG (0.50) LIPGAAK1BACE1BACE2LPL
SCHEMBL22264866 0.75 BACE1 (0.41) LIPGAAK1BACE1BACE2LPL
SCHEMBL25458763 0.75 AAK1 (0.41) LIPGAAK1BACE1BACE2LPL
SCHEMBL12185974 0.74 BACE1 (0.49) LIPGAAK1BACE1BACE2LPL
SCHEMBL24035728 0.74 USP30 (0.37) LIPGAAK1BACE1BACE2LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
WO-2011078371-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2011-06-30 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 (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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 CHRM2 604/4885CHRM1 435/4885CHRM3 376/4885

“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.