SCHEMBL4863847

SCHEMBL4863847

CCOC(=O)C(=O)C(Br)Cc1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP8 P22894 1/20 0.35
GSK3B P49841 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2555896 0.84 MMP8 (0.50) CYP1A2MMP8MAPTMEN1KMT2A
SCHEMBL3932315 0.82 ALDH1A1 (0.45) MAPTLMNAMAPK1ALDH1A1
SCHEMBL4875770 0.81 SLC6A4 (0.46) MMP8MAPTMEN1KMT2AS1PR4
SCHEMBL1437676 0.76 MMP8 (0.54) CYP1A2CYP2D6MMP8MEN1KMT2A
SCHEMBL31635690 0.74 PNMT (0.45) KYAT1MAPTMEN1KMT2ALMNA
SCHEMBL10561458 0.73 DPP4 (0.46) MMP8OPRM1
SCHEMBL10561451 0.73 DPP4 (0.46) MMP8OPRM1
SCHEMBL10680407 0.73 DPP4 (0.46) MMP8OPRM1
SCHEMBL5634815 0.73 KYAT1 (0.43) KYAT1CYP1A2MAPTMEN1KMT2A
SCHEMBL13721762 0.73 EPHX2 (0.44) MMP8MAPTMEN1KMT2AS1PR4

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
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
CN-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB KYAT1 4452/4885CYP1A2 4127/4885CYP2D6 4546/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 KYAT1 2196/4885CYP1A2 4379/4885CYP2D6 4598/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 KYAT1 2534/4885CYP1A2 3378/4885CYP2D6 4095/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 KYAT1 2196/4885CYP1A2 4379/4885CYP2D6 4598/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB KYAT1 3945/4885CYP1A2 4852/4885CYP2D6 4873/4885

“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.