Sugi Predict

Sugi Predict / Compounds / SCHEMBL4159695

SCHEMBL4159695

SCHEMBL4159695

COC(=O)CNC1(C(C)=O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ TSHR P16473 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TET2 Q6N021 1/20 0.34
▸ RECQL P46063 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA2 P00918 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
SCHEMBL7435339 0.83 MAPT (0.42) CYP3A4EPHX2MGAMGAASI
SCHEMBL5634108 0.81 MME (0.38) TSHRMAPTALDH1A1
SCHEMBL3525418 0.78 CA12 (0.42) CYP3A4EPHX2TSHRHSD17B10MAPT
SCHEMBL25857189 0.74 DPP4 (0.38) CYP3A4EPHX2TSHRHSD17B10TET2
SCHEMBL17826230 0.74 POLB (0.31) TSHR
SCHEMBL21286704 0.74 — —
SCHEMBL20987520 0.73 GAA (0.41) CYP3A4EPHX2GAAMAPTALDH1A1
SCHEMBL20857573 0.73 KDM4E (0.31) KMT2A
SCHEMBL28576192 0.73 TSHR (0.39) CYP3A4EPHX2TSHRHSD17B10TET2
SCHEMBL19323024 0.73 CYP3A4 (0.49) CYP3A4EPHX2TSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124820-A1 C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin PFIZER INC. 2009-05-14 — — US disclosed
US-7375241-B2 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS A.G. (CH) 2008-05-20 — — US disclosed
EP-1727620-B1 C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2007-08-29 — — EP disclosed
US-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS AG (CH) 2007-06-21 — — US disclosed
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin BAO JIAN 2005-10-13 — — US 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-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use PHOSPHO1, INPP5B, PPA1 CYP3A4 2821/4885EPHX2 1156/4885MGAM 3245/4885
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin GABRA5, CNR1, GABRE CYP3A4 749/4885EPHX2 1888/4885MGAM 1482/4885
US-20090124820-A1 C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin GABRE, GABRP, GABRA5 CYP3A4 522/4885EPHX2 1547/4885MGAM 2166/4885

“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.