SCHEMBL1318656

SCHEMBL1318656

CC(C)(C)OC(=O)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
LIPG Q9Y5X9 4/20 0.39
LPL P06858 3/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
HIF1A Q16665 2/20 0.38
DGAT1 O75907 1/20 0.36
USP30 Q70CQ3 2/20 0.35
CYP3A4 P08684 1/20 0.35
P4HB P07237 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
SCHEMBL4045906 0.84 ELANE (0.41) ELANELIPGLPLCA2CA1
SCHEMBL23258496 0.84 PRMT5 (0.41) ELANEAAK1PRMT5WDR77LIPG
SCHEMBL2762706 0.83 ELANE (0.54) ELANEAAK1PRMT5WDR77LIPG
SCHEMBL29656896 0.82 AAK1 (0.41) AAK1PRMT5WDR77LIPGLPL
SCHEMBL3451076 0.82 CYP3A4 (0.50) LIPGLPLCA2CA1CA9
SCHEMBL13606515 0.81 HIF1A (0.45) AAK1PRMT5WDR77LIPGLPL
SCHEMBL5761327 0.81 MEN1 (0.54) LIPGLPLCA2CA1CA9
SCHEMBL28469721 0.81 AAK1 (0.40) AAK1PRMT5WDR77LIPGLPL
SCHEMBL28809490 0.80 LIPG (0.43) ELANEAAK1PRMT5WDR77LIPG
SCHEMBL25427311 0.79 DGAT1 (0.41) AAK1PRMT5WDR77LIPGLPL

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
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 EP 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-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ELANE 4000/4885AAK1 280/4885PRMT5 2560/4885
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 ELANE 281/4885AAK1 2403/4885PRMT5 1535/4885
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 ELANE 354/4885AAK1 1264/4885PRMT5 2335/4885

“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.