SCHEMBL2174044

SCHEMBL2174044

CS(=O)(=O)NCCCNC(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1.O=C(O)CCCCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.40
KCNH2 Q12809 10/20 0.40
EPHX2 P34913 2/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL2168640 0.87 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2174049 0.85 LTA4H (0.43) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2167847 0.84 LTA4H (0.48) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168432 0.83 LTA4H (0.52) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2169376 0.82 LTA4H (0.52) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2169343 0.82 LTA4H (0.52) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168037 0.82 LTA4H (0.52) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2169656 0.81 LTA4H (0.53) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2171119 0.79 LTA4H (0.55) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168672 0.78 LTA4H (0.55) LTA4HKCNH2EPHX2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP claimed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO claimed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP claimed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US claimed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (1 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-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 4064/4885EPHX2 365/4885

“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.