SCHEMBL5685387

SCHEMBL5685387

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.69
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HCRTR2 O43614 1/20 0.41
ACHE P22303 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8112178 0.84 LTA4H (0.57) LTA4HNPC1RAB9APOLBHCRTR2
SCHEMBL3494092 0.82 LTA4H (0.68) LTA4HPTGS1PTGS2ACHE
SCHEMBL2108222 0.81 LTA4H (1.00) LTA4H
SCHEMBL5685382 0.81 LTA4H (0.72) LTA4HPTGS1PTGS2ACHE
Hydrochloric Acid SCHEMBL8773798 0.81 LTA4H (0.98) LTA4H
SCHEMBL17833499 0.77 LTA4H (0.83) LTA4H
SCHEMBL2108955 0.76 LTA4H (1.00) LTA4H
SCHEMBL8641130 0.74 LTA4H (0.56) LTA4HNPC1RAB9APOLBPTGS1
SCHEMBL8638399 0.73 LTA4H (0.55) LTA4HNPC1RAB9APOLBPTGS1
SCHEMBL5684514 0.72 LTA4H (0.62) LTA4HNPC1RAB9APOLBPTGS1

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 1/4885NPC1 3819/4885RAB9A 4630/4885
US-20030004191-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor LTA4H, LTB4R2, LTC4S LTA4H 1/4885NPC1 3819/4885RAB9A 4684/4885

“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.