SCHEMBL4863739

SCHEMBL4863739

CCOC(=O)CCc1ccc(SCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP4Z1 Q86W10 3/20 0.52
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
EPHX2 P34913 1/20 0.43
SYK P43405 1/20 0.42
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ABCB1 P08183 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL68902 0.86 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL24931511 0.85 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL3552172 0.85 CYP4F2 (0.59) CYP4F2CYP4A11NPC1RAB9ACYP4Z1
SCHEMBL4874395 0.84 CYP4F2 (0.46) CYP4F2CYP4A11NPC1RAB9ACYP4Z1
SCHEMBL15956080 0.83 NPC1 (0.57) CYP4F2CYP4A11NPC1RAB9ACYP4Z1
SCHEMBL2774321 0.81 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL11437256 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL10206072 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL363982 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL879130 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3

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 13 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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO 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
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US 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 CYP4F2 3741/4885CYP4A11 2667/4885NPC1 549/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP4F2 3413/4885CYP4A11 3227/4885NPC1 476/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP4F2 2773/4885CYP4A11 2827/4885NPC1 466/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP4F2 3413/4885CYP4A11 3227/4885NPC1 476/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CYP4F2 4694/4885CYP4A11 4346/4885NPC1 324/4885

“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.