SCHEMBL213307

SCHEMBL213307

CN(C(=O)OCc1ccccc1)[C@H](CO)CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
SYK P43405 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL213306 1.00 ABCB1 (0.50) ABCB1SYKALDH1A1L3MBTL1MAPK1
SCHEMBL27810816 0.85 ABCB1 (0.50) ABCB1SYKALDH1A1L3MBTL1MAPK1
SCHEMBL2729968 0.85 ABCB1 (0.50) ABCB1SYKALDH1A1L3MBTL1MAPK1
SCHEMBL24733700 0.84 ABCB1 (0.49) ABCB1SYKALDH1A1L3MBTL1MAPK1
SCHEMBL18675299 0.84 ABCB1 (0.49) ABCB1SYKALDH1A1L3MBTL1MAPK1
SCHEMBL23879129 0.84 ABCB1 (0.49) ABCB1SYKALDH1A1L3MBTL1MAPK1
SCHEMBL30863382 0.80 ABCB1 (0.49) ABCB1SYKALDH1A1L3MBTL1MAPT
SCHEMBL8397216 0.79 ABCB1 (0.48) ABCB1SYKALDH1A1L3MBTL1MAPT
SCHEMBL16284416 0.79 ABCB1 (0.48) ABCB1SYKALDH1A1L3MBTL1MAPT
SCHEMBL28638619 0.79 SYK (0.45) SYKALDH1A1L3MBTL1MAPK1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-10-13 US disclosed
US-9187524-B2 Broad spectrum antibiotic arylomycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-11-17 US disclosed
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-12 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (7 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ABCB1 1608/4885SYK 2120/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABCB1 1608/4885SYK 2120/4885ALDH1A1 1710/4885
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 ABCB1 1561/4885SYK 2415/4885ALDH1A1 2541/4885
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 ABCB1 1561/4885SYK 2415/4885ALDH1A1 2541/4885
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L ABCB1 949/4885SYK 2653/4885ALDH1A1 3378/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABCB1 1608/4885SYK 2120/4885ALDH1A1 1710/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L ABCB1 949/4885SYK 2653/4885ALDH1A1 3378/4885

“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.