SCHEMBL197703

SCHEMBL197703

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL395419 1.00 TDP1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL198107 1.00 TDP1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL392365 1.00 TDP1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6239351 0.84 CHRM1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6240565 0.81 CA2 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3837519 0.77 TDP1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL687714 0.77 TDP1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6234803 0.75 CTSS (0.34)
SCHEMBL16667373 0.74 TP53 (0.38) OR51E2
SCHEMBL1406003 0.74 TP53 (0.38) 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US claimed
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
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
US-20050153417-A1 Halohydrin dehalogenases and related polynucleotides CODEXIS, INC. 2005-07-14 US disclosed
US-20050154224-A1 Continuous process for the cyanation of hydrogenated beta-ketoesters PHOENIX CHEMICALS LIMITED (GB) 2005-07-14 US disclosed
EP-1506161-A1 CONTINUOUS PROCESS FOR THE CYANATION OF HYDROGENATED BETA-KETOESTERS Phoenix Chemicals Limited (GB) 2005-02-16 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
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003097581-A1 CONTINUOUS PROCESS FOR THE CYANATION OF HYDROGENATED BETA-KETOESTERS PHOENIX CHEMICALS LIMITED (GB) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 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 (5 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 TDP1 34/4885CHRM1 4706/4885AKR1A1 1255/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 TDP1 49/4885CHRM1 4247/4885AKR1A1 1186/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS TDP1 328/4885CHRM1 3255/4885AKR1A1 776/4885
US-20050154224-A1 Continuous process for the cyanation of hydrogenated beta-ketoesters KHK, BCKDK, CYP51A1 TDP1 3184/4885CHRM1 3893/4885AKR1A1 403/4885
US-20050153417-A1 Halohydrin dehalogenases and related polynucleotides HDHD5, DERA, VNN1 TDP1 534/4885CHRM1 4732/4885AKR1A1 868/4885

“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.