SCHEMBL198458

SCHEMBL198458

N#CC(O)c1ccccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
PTGS2 P35354 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ADRA2A P08913 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
USP2 O75604 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL27923133 1.00 TSHR (0.40) TSHRPTGDR2PTGS2PDCD1CD274
SCHEMBL2062407 0.81 PTGDR2 (0.39) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
SCHEMBL2062913 0.81 PTGDR2 (0.39) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
SCHEMBL9203356 0.77 PTGDR2 (0.41) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
SCHEMBL7496181 0.75 ADRA2A (0.40) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
SCHEMBL11663955 0.75 PTGDR2 (0.38) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
SCHEMBL11663952 0.74 PTGDR2 (0.41) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
SCHEMBL11366017 0.74 PTGS2 (0.43) PTGDR2PTGS2ADRA2ACYP1A2CYP2D6
Hydrogen Peroxide SCHEMBL11527811 0.74 PTGDR2 (0.44) TSHRPTGDR2PTGS2ADRA2ACYP1A2
SCHEMBL198311 0.73 PTGDR2 (0.48) PTGDR2PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038419-A1 Assays and kits for detecting the presence of nitriles and/or cyanide DIVERSA CORPORATION 2004-02-26 US claimed
WO-2003098187-A2 ASSAYS AND KITS FOR DETECTING THE PRESENCE OF NITRILES AND/OR CYANIDE DIVERSA CORPORATION (US) 2003-11-27 WO 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-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
CN-105296512-A Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC 2016-02-03 CN 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
CN-102796750-B The nucleic acid of nitrilase, encoding nitrilase enzyme, and the method preparing and use them BASF ENZYMES LLC (US) 2015-09-16 CN 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-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP 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-20040038419-A1 Assays and kits for detecting the presence of nitriles and/or cyanide DIVERSA CORPORATION 2004-02-26 US 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-2003098187-A2 ASSAYS AND KITS FOR DETECTING THE PRESENCE OF NITRILES AND/OR CYANIDE DIVERSA CORPORATION (US) 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 (3 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 TSHR 4156/4885PTGDR2 4544/4885PTGS2 2070/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 TSHR 4001/4885PTGDR2 4450/4885PTGS2 1656/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS TSHR 4562/4885PTGDR2 4308/4885PTGS2 947/4885

“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.