Sugi Predict

Sugi Predict / Compounds / SCHEMBL3777276

SCHEMBL3777276

SCHEMBL3777276

CCOC(=O)C/C(C#N)=C/C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PTP4A1 Q93096 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL3777279 1.00 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15698708 1.00 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5364063 0.84 MGAM (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5364066 0.84 MGAM (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8233306 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8719877 0.79 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL6402123 0.77 CTSK (0.36) —
SCHEMBL4145829 0.76 GRIK1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL13851870 0.76 GRIK1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL13293249 0.74 GAA (0.54) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101965328-A Process to pregabalin GENERICS UK LTD 2011-02-02 — — CN disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 — — US disclosed
US-7230135-B2 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts WARNER LAMBERT COMPANY LLC (US) 2007-06-12 — — US disclosed
US-6891059-B2 Asymmetric synthesis of pregabalin WARNER-LAMBERT COMPANY (US) 2005-05-10 — — US disclosed
EP-1341799-B1 P-CHIRALE BISPHOSPHOLANE LIGANDS, THEIR TRANSITION METAL COMPLEXES WARNER LAMBERT CO (US) 2005-03-16 — — EP disclosed
US-20040215027-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts HOGE GARRETT STEWART 2004-10-28 — — US disclosed
US-6750171-B2 IMPROVE ENANTIOSELECTIVITY IN ASYMMETRIC REACTIONS WARNER-LAMBERT COMPANY LLC 2004-06-15 — — US disclosed
EP-1250311-B1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2004-03-17 — — EP disclosed
US-20030236433-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts HOGE GARRETT STEWART (US) 2003-12-25 — — US disclosed
US-20030212290-A1 Asymmetric synthesis of pregabalin BURK MARK JOSEPH (US) 2003-11-13 — — US disclosed
EP-1341799-A1 P-CHIRALE BISPHOSPHOLANE LIGANDS, THEIR TRANSITION METAL COMPLEXES Warner-Lambert Company LLC (US) 2003-09-10 — — EP disclosed
US-6605745-B2 Locates chirality closer to the metal center than known metal phospholane complexes; provide high enantiomeric excesses of formed compounds HOGE II GARRETT STEWART (US) 2003-08-12 — — US disclosed
EP-1250311-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2002-10-23 — — EP disclosed
US-20020087017-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts HOGE GARRETT STEWART (US) 2002-07-04 — — US disclosed
WO-2002048161-A1 P-CHIRALE BISPHOSPHOLANE LIGANDS, THEIR TRANSITION METAL COMPLEXES WARNER-LAMBERT COMPANY LLC (US) 2002-06-20 — — WO disclosed
WO-2001055090-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2001-08-02 — — 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 (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-20040215027-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts PHOSPHO1, BPGM, PHPT1 MGAM 497/4885GAA 3149/4885SI 2423/4885
US-20030212290-A1 Asymmetric synthesis of pregabalin GABRA5, GABRA6, GABRE MGAM 1223/4885GAA 3133/4885SI 1615/4885
US-20030236433-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts PHOSPHO1, BPGM, PHPT1 MGAM 497/4885GAA 3149/4885SI 2423/4885
US-20100324139-A1 PROCESS TO PREGABALIN GABRB2, GABRE, GABRB1 MGAM 222/4885GAA 1149/4885SI 477/4885
US-20020087017-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts PHOSPHO1, BPGM, PHPT1 MGAM 497/4885GAA 3149/4885SI 2423/4885

“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.