SCHEMBL199977

SCHEMBL199977

CC(C(=O)O)[C@H](O)CC#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
OR51E2 Q9H255 1/20 0.33
DPP4 P27487 1/20 0.33
SLC1A2 P43004 3/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A1 P43005 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL16667373 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL1406004 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL1406003 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL16667376 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL6234993 0.78 TP53 (0.35) TP53OR51E2DPP4
SCHEMBL2437498 0.75
SCHEMBL6239351 0.75 CHRM1 (0.40) SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL395419 0.74 TDP1 (0.33) OR51E2
SCHEMBL392365 0.74 TDP1 (0.33) OR51E2
SCHEMBL197703 0.74 TDP1 (0.33) OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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-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-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
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 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 (4 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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 TP53 1317/4885OR51E2 2443/4885DPP4 2633/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 TP53 978/4885OR51E2 2786/4885DPP4 1969/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS TP53 2212/4885OR51E2 1461/4885DPP4 2034/4885
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 TP53 507/4885OR51E2 1539/4885DPP4 2622/4885

“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.