SCHEMBL2912840

SCHEMBL2912840

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL2906592 1.00 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2912543 1.00 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5563470 0.96 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5567906 0.85 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.84 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4203015 0.84 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4207955 0.84 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13286122 0.83 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12787264 0.82 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6138869 0.82 GAA (0.43) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
EP-2222630-A1 PROCESSES TO PREGABALIN Generics (UK) Limited (GB) 2010-09-01 EP disclosed
WO-2009081208-A1 PROCESSES TO PREGABALIN GENERICS [UK] LIMITED (GB) 2009-07-02 WO disclosed
WO-2009081208-A1 PROCESSES TO PREGABALIN GENERICS [UK] LIMITED (GB) 2009-07-02 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-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 MGAM 357/4885GAA 313/4885SI 379/4885
US-20100324139-A1 PROCESS TO PREGABALIN GABRB2, GABRE, GABRB1 MGAM 222/4885GAA 1149/4885SI 477/4885

“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.