SCHEMBL2684223

SCHEMBL2684223

CCOC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.82
SLCO1B1 Q9Y6L6 4/20 0.82
ABCB11 O95342 3/20 0.82
HDAC1 Q13547 2/20 0.82
HDAC2 Q92769 2/20 0.82
HDAC6 Q9UBN7 2/20 0.82
NR1I2 O75469 1/20 0.82
RHOC P08134 1/20 0.82
CYP3A4 P08684 1/20 0.82
THRB P10828 1/20 0.82
NR1H4 Q96RI1 1/20 0.82
ABCG2 Q9UNQ0 1/20 0.82
ABCC3 O15438 2/20 0.79
ABCC4 O15439 2/20 0.79
SLCO1B3 Q9NPD5 2/20 0.79
PDE6D O43924 4/20 0.71
ABCB1 P08183 1/20 0.54
ABCC2 Q92887 1/20 0.54

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
SCHEMBL7453854 1.00 HMGCR (0.82) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL7449990 0.94 HMGCR (0.79) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL14508069 0.93 HMGCR (0.81) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL9976581 0.93 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL8931058 0.93 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5240504 0.93 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12553314 0.93 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12073622 0.92 HMGCR (0.79) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL14508071 0.92 HMGCR (0.78) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12072456 0.92 HMGCR (0.78) HMGCRSLCO1B1ABCB11HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211664-A1 LYMPH DIRECTING PRODRUGS MONASH UNIVERSITY (AU) 2022-07-07 US disclosed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US disclosed
US-7651849-B2 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2010-01-26 US disclosed
US-7651849-B2 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2010-01-26 US disclosed
US-20100009426-A1 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-01-14 US disclosed
US-20100009426-A1 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-01-14 US disclosed
US-7608445-B1 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2009-10-27 US disclosed
US-7608445-B1 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2009-10-27 US disclosed
US-20090176976-A1 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2009-07-09 US disclosed
US-20090176976-A1 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2009-07-09 US disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 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-20220211664-A1 LYMPH DIRECTING PRODRUGS LTA, ABCB11, LYN HMGCR 1833/4885SLCO1B1 139/4885ABCB11 2/4885

“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.