SCHEMBL2531069

SCHEMBL2531069

CC(C)(C)COCCC[O]

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
GBA2 Q9HCG7 2/20 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
SCHEMBL2526786 0.92 GBA2 (0.37) CYP2C19GBA2
SCHEMBL2528242 0.90 GBA2 (0.39) CYP2C19GBA2
SCHEMBL2529656 0.90 GBA2 (0.39) CYP2C19GBA2
SCHEMBL2525969 0.83
SCHEMBL1244600 0.83 GBA2 (0.38) CYP2C19GBA2
SCHEMBL25939791 0.83 GBA2 (0.42) CYP2C19GBA2
SCHEMBL26016322 0.80 GBA2 (0.37) CYP2C19GBA2
SCHEMBL26016323 0.80 GBA2 (0.37) CYP2C19GBA2
SCHEMBL26016324 0.80 GBA2 (0.37) CYP2C19GBA2
SCHEMBL5961040 0.77 HRH3 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-9670232-B2 Molecular precursor compounds for zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2017-06-06 US disclosed
EP-3102541-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS TRANSTRON SOLUTIONS LLC (US) 2016-12-14 EP disclosed
US-9455142-B2 Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-09-27 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-20150218400-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221771-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221506-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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 (6 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-20150218400-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS IKZF3, ZFR, IGSF11 CYP2C19 1188/4885GBA2 3442/4885
US-20150221506-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS AOC3, ZRANB2, AOC2 CYP2C19 90/4885GBA2 4326/4885
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS IKZF3, ZRANB2, ZFR CYP2C19 242/4885GBA2 4279/4885
US-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 CYP2C19 4097/4885GBA2 3362/4885
US-20150221771-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS ZFR, IKZF3, SLC39A11 CYP2C19 176/4885GBA2 2400/4885
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS ZFR, ZRANB2, IKZF3 CYP2C19 77/4885GBA2 3326/4885

“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.