SCHEMBL2110042

SCHEMBL2110042

COC1(c2cc(F)cc(Sc3ccc4c(c3)CCC(=S)N4C)c2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.56
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9099705 0.89 ALOX5 (0.71) ALOX5
SCHEMBL9200851 0.84 ALOX5 (0.57) ALOX5PTGS1PTGS2
SCHEMBL9206036 0.81 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9202694 0.79 ALOX5 (0.65) ALOX5PTGS1PTGS2
SCHEMBL9086220 0.79 ALOX5 (0.58) ALOX5
SCHEMBL9046672 0.79 ALOX5 (0.51) ALOX5
SCHEMBL9203502 0.78 ALOX5 (0.53) ALOX5
SCHEMBL9280770 0.77 ALOX5 (0.58) ALOX5
SCHEMBL9280772 0.77 ALOX5 (0.58) ALOX5
SCHEMBL9280765 0.77 ALOX5 (0.58) ALOX5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP claimed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US claimed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP claimed
JP-4243877-A None JP disclosed
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-7851486-B2 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2010-12-14 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
EP-1871908-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2008-01-02 EP disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
EP-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 EP disclosed
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2005-12-22 US disclosed
EP-1579010-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2005-09-28 EP disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 DECODE GENETICS EHF. (IS) 2005-05-26 US disclosed
WO-2004035741-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2004-04-29 WO disclosed
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US disclosed
JP-H04243877-A THIOXOHETEROCYCLIC COMPOUND AND ITS PRODUCTION AND MEDICINE CONTAINING THIS COMPOUND USED TO TREAT DISEASE AND SYMPTOM BY LEUKOTRIENE INTERVENTION ICI PHARMA 1992-08-31 JP disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP 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-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885PTGS1 15/4885PTGS2 43/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885PTGS1 15/4885PTGS2 43/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 14/4885PTGS1 42/4885PTGS2 21/4885
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 ALOX5, ALOX15, ALOX12 ALOX5 1/4885PTGS1 88/4885PTGS2 49/4885
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 49/4885PTGS1 139/4885PTGS2 63/4885

“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.