SCHEMBL3934590

SCHEMBL3934590

CCOC(=O)CCc1ccc(C(=O)CBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.64
CYP4A11 Q02928 2/20 0.64
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
GSK3B P49841 3/20 0.51
CYP4Z1 Q86W10 1/20 0.51
EPHX2 P34913 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
PTPN1 P18031 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL8610840 0.91 MAPK1 (0.54) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL14028452 0.86 CYP4F2 (0.66) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL68902 0.85 CYP4F2 (0.85) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL5913041 0.84 CYP4F2 (0.64) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL392939 0.84 GSK3B (0.55) MAPTLMNAGSK3BCYP4Z1ALDH1A1
SCHEMBL168856 0.84 GSK3B (0.54) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL4887611 0.83 CYP4F2 (0.72) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL6781618 0.83 CYP4F2 (0.72) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL20734882 0.83 CYP4F2 (0.62) CYP4F2CYP4A11MAPTL3MBTL1LMNA
SCHEMBL7766764 0.82 CYP4F2 (0.70) CYP4F2CYP4A11MAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
CN-101031555-A Thiazole derivative capable of vap-1 inhibitory activity ASTELLAS PHARMA INC (JP) 2007-09-05 CN disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed
US-5739376-A Fullerene derivatives, methods of preparing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0695287-B1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 1997-10-29 EP disclosed
EP-0695287-A1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 1996-02-07 EP disclosed
WO-1994025424-A1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-10 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA CYP4F2 1644/4885CYP4A11 3157/4885MAPT 1178/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA CYP4F2 3252/4885CYP4A11 3481/4885MAPT 163/4885

“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.