SCHEMBL4317092

SCHEMBL4317092

COc1ccc(Cc2ccc(-c3ccsc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
LTA4H P09960 4/20 0.52
MAOB P27338 2/20 0.47
CYP2A6 P11509 1/20 0.46
KDR P35968 2/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.44
NPC1 O15118 1/20 0.43
RET P07949 1/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42

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
SCHEMBL2780033 0.89 CYP2A6 (0.55) MAOBCYP2A6KDRFLT1FLT4
SCHEMBL1855435 0.84 LTA4H (0.57) LTA4HSAE1UBA2
SCHEMBL22451382 0.83 LTA4H (0.71) CYP17A1LTA4HMAOBSAE1UBA2
SCHEMBL25986535 0.83 LTA4H (0.71) CYP17A1LTA4HMAOBSAE1UBA2
SCHEMBL6059611 0.83 LTA4H (0.71) CYP17A1LTA4HMAOBSAE1UBA2
SCHEMBL25986524 0.77 LTA4H (0.81) LTA4HSAE1UBA2
SCHEMBL27884 0.77 LTA4H (0.81) LTA4HSAE1UBA2
SCHEMBL1425001 0.77 LTA4H (0.81) LTA4HSAE1UBA2
SCHEMBL4312306 0.77 CYP17A1 (0.66) CYP17A1CYP11B1CYP11B2LTA4HCYP2A6
SCHEMBL14547341 0.77 CYP17A1 (0.71) CYP17A1CYP11B1CYP11B2LTA4HMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP17A1 224/4885CYP11B1 330/4885CYP11B2 322/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP17A1 224/4885CYP11B1 330/4885CYP11B2 322/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP17A1 224/4885CYP11B1 330/4885CYP11B2 322/4885

“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.