SCHEMBL10170702

SCHEMBL10170702

O=C(O)CC(CCC(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CACNA2D1 P54289 2/20 0.44
CACNB3 P54284 1/20 0.44
CACNA1C Q13936 1/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D2 Q9NY47 1/20 0.44
FOLH1 Q04609 1/20 0.43
TSHR P16473 1/20 0.41
GABRR1 P24046 2/20 0.41
LMNA P02545 1/20 0.41
GPR84 Q9NQS5 4/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13310829 0.86 CACNA2D1 (0.41) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL240563 0.85 SLC22A6 (0.56) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL27857944 0.84 SLC22A6 (0.43) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL7715710 0.84 FOLH1 (0.56) SLC22A6TDP1FOLH1LMNACYP2D6
SCHEMBL25399812 0.82 SLC22A6 (0.41) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL1335604 0.82 ADRA1A (0.48) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL14359807 0.82 CACNA2D1 (0.43) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL28603991 0.82 SLC22A6 (0.48) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL17188267 0.80 GSTK1 (0.58) SLC22A6FOLH1TSHRGABRR1LMNA
SCHEMBL3659066 0.78 FOLH1 (0.56) SLC22A6FOLH1LMNA

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 35 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
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 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-8778651-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2014-07-15 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-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-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 SLC22A6 1963/4885TDP1 241/4885SMN1; 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.