SCHEMBL5685382

SCHEMBL5685382

CC(CN(C)CCCOc1ccc(Cc2cccs2)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 18/20 0.72
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7611196 0.91 LTA4H (0.59) LTA4HACHE
SCHEMBL2108222 0.84 LTA4H (1.00) LTA4H
Hydrochloric Acid SCHEMBL8773798 0.83 LTA4H (0.98) LTA4H
SCHEMBL2108955 0.83 LTA4H (1.00) LTA4H
SCHEMBL3494088 0.83 LTA4H (0.72) LTA4HACHE
SCHEMBL17833499 0.81 LTA4H (0.83) LTA4H
SCHEMBL5685387 0.81 LTA4H (0.69) LTA4HACHEPTGS1PTGS2
SCHEMBL8641130 0.76 LTA4H (0.56) LTA4HPTGS1PTGS2
SCHEMBL8107892 0.76 LTA4H (0.76) LTA4H
SCHEMBL8638399 0.73 LTA4H (0.55) LTA4HPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
US-20050043355-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor PHARMACIA CORPORATION 2005-02-24 US claimed
US-20030004191-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor PHARMACIA CORPORATION 2003-01-02 US claimed
EP-0880363-B1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2002-09-11 EP claimed
US-6407140-B1 AUTOIMMUNE DISEASES, GRAFT VERSUS HOST DISEASE AND ORGAN TRANSPLANT SURGERY; PYRAZOLE DERIVATIVE MIXTURE G.D. SEARLE & CO. 2002-06-18 US claimed
EP-0880363-A1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4? HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
EP-0843549-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4? HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1998-05-27 EP claimed
WO-1997029774-A1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1997-08-21 WO claimed
WO-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed

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-20050043355-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor LTA4H, LTB4R2, LTB4R LTA4H 1/4885ACHE 1763/4885PTGS1 12/4885
US-20030004191-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor LTA4H, LTB4R2, LTC4S LTA4H 1/4885ACHE 1687/4885PTGS1 11/4885

“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.