SCHEMBL10170671

SCHEMBL10170671

O=C(O)[C@H](O)Cc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PTPRA P18433 1/20 0.47
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR52 Q9Y2T5 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
IDO1 P14902 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
SCHEMBL12238425 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2PTPRAALDH1A1
SCHEMBL1828507 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2PTPRAALDH1A1
SCHEMBL2387476 0.84 KMT2A (0.58) PPARGPPARAALDH1A1KMT2AGPR52
SCHEMBL7386121 0.82 CYP1A2 (0.55) PPARGPPARAALDH1A1KMT2AGPR52
SCHEMBL27809269 0.81 PPARG (0.51) PPARGPPARAALDH1A1KMT2AGPR52
SCHEMBL23189271 0.79 APAF1 (0.51) PPARGPPARAALDH1A1KMT2AGPR52
SCHEMBL31558898 0.79 APAF1 (0.51) PPARGPPARAALDH1A1KMT2AGPR52
SCHEMBL1250588 0.79 SLC7A5 (0.58) PPARGPPARAALDH1A1KMT2AKDM4E
SCHEMBL29400473 0.79 SLC7A5 (0.58) PPARGPPARAALDH1A1KMT2AKDM4E
SCHEMBL43301 0.79 SLC7A5 (0.58) PPARGPPARAALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
US-8906663-B2 Nitrilases VERENIUM CORPORATION (US) 2014-12-09 US disclosed
US-8906663-B2 Nitrilases VERENIUM CORPORATION (US) 2014-12-09 US disclosed
US-8778651-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2014-07-15 US disclosed
US-7811804-B2 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-10-12 US disclosed
US-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety VERENIUM CORPORATION (US) 2010-04-08 US disclosed
US-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety VERENIUM CORPORATION (US) 2010-04-08 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-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
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US disclosed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 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 (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-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety ASPH, AHSA1, DNPH1 PPARG 4561/4885PPARA 3042/4885SMN1; SMN2 1240/4885

“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.