SCHEMBL4194017

SCHEMBL4194017

COC(=O)C[C@H](CC(=O)O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.57
CACNB3 P54284 1/20 0.57
CACNA1C Q13936 1/20 0.57
PGR P06401 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
CACNA2D2 Q9NY47 1/20 0.57
MME P08473 4/20 0.38
TSHR P16473 3/20 0.38
FOLH1 Q04609 2/20 0.35
MMP1 P03956 2/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL665175 1.00 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL664788 1.00 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4880767 0.92 CACNA2D1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL665555 0.86 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4290966 0.85 TSHR (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27729213 0.85 TSHR (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1410027 0.85 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1419510 0.82 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5003775 0.82 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1419512 0.82 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112301017-A Lipase derived from pseudomonas and application thereof 江苏美科生物科技有限公司 2021-02-02 CN claimed
CN-113564144-B Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2025-04-04 CN disclosed
CN-118956817-A Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2024-11-15 CN disclosed
CN-113564144-A Lipase mutant and application thereof 上海奥博生物医药技术有限公司 2021-10-29 CN disclosed
CN-112301017-A Lipase derived from pseudomonas and application thereof 江苏美科生物科技有限公司 2021-02-02 CN disclosed
CN-112301017-A Lipase derived from pseudomonas and application thereof 江苏美科生物科技有限公司 2021-02-02 CN disclosed
WO-2019193607-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-10-10 WO disclosed
US-10023885-B2 Process for the preparation of pregabalin HIKAL LIMITED (IN) 2018-07-17 US disclosed
US-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
US-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
WO-2014072785-A2 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2014-05-15 WO disclosed
CN-101448779-A Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMA (IL) 2009-06-03 CN disclosed
EP-2019817-A2 PROCESSES FOR THE PREPARATION OF R-(+)-3-(CARBAMOYL METHYL)-5-METHYLHEXANOIC ACID AND SALTS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-02-04 EP disclosed
US-7462738-B2 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-09 US disclosed
US-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-12-20 US disclosed
WO-2007139933-A2 PROCESSES FOR THE PREPARATION OF R-(+)-3-(CARBAMOYL METHYL)-5-METHYLHEXANOIC ACID AND SALTS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-06 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 (2 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-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof RIMKLA, GABRE, GRIK5 CACNA2D1 245/4885CACNB3 63/4885CACNA1C 43/4885
US-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 CACNA2D1 164/4885CACNB3 190/4885CACNA1C 109/4885

“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.