SCHEMBL199978

SCHEMBL199978

COC(=O)CC(O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MCL1 Q07820 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1406000 1.00 TSHR (0.37) TSHRHTTHSD17B10MGAMGAA
SCHEMBL1406049 1.00 TSHR (0.37) TSHRHTTHSD17B10MGAMGAA
SCHEMBL10087479 0.90 TSHR (0.33) TSHRHTTHSD17B10MGAMGAA
SCHEMBL29133366 0.86 MGAM (0.35) TSHRHTTHSD17B10MGAMGAA
SCHEMBL1762805 0.81 TSHR (0.39) TSHRHTTHSD17B10MGAMGAA
SCHEMBL6234988 0.80 LMNA (0.36) TSHRHSD17B10ALDH1A1MAPT
SCHEMBL395418 0.80 MGAM (0.41) TSHRHTTHSD17B10MGAMGAA
SCHEMBL6928053 0.80 LMNA (0.36) TSHRHSD17B10ALDH1A1MAPT
SCHEMBL198108 0.80 MGAM (0.41) TSHRHTTHSD17B10MGAMGAA
SCHEMBL391523 0.80 MGAM (0.41) TSHRHTTHSD17B10MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP 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
CN-104356155-B Preparation method of (S)-tert-butyldimethylsilyloxy-glutaramate 浙江新东港药业股份有限公司 2017-01-18 CN 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
WO-2003106415-A2 PROCESSES FOR MAKING (R)-ETHYL 4-CYANO-3-HYDROXYBUTYRIC ACID DIVERSA CORPORATION (US) 2003-12-24 WO disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM 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
US-6586616-B1 Cyanation and esterification of 3,4-epoxybutyric acid sodium salts to form chemical intermediates for antilipemic agents; by-product inhibition SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2003-07-01 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
EP-1149068-A4 A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER SAMSUNG FINE CHEMICALS CO LTD (KR) 2003-01-02 EP disclosed
EP-1149068-A1 A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER Samsung Fine Chemicals Co., Ltd. (KR) 2001-10-31 EP disclosed
US-6140527-A Process for producing butyric ester derivatives KANEKA CORPORATION (JP) 2000-10-31 US disclosed
WO-2000046186-A1 A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER SAMSUNG FINE CHEMICALS CO., LTD (KR) 2000-08-10 WO disclosed
EP-0970947-A1 PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES KANEKA CORPORATION (JP) 2000-01-12 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-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS TSHR 4562/4885HTT 834/4885HSD17B10 1028/4885

“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.