SCHEMBL2168372

SCHEMBL2168372

CC(C)N(CCOc1ccc(Oc2nc3ccccc3s2)cc1)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARD Q03181 7/20 0.49
LTA4H P09960 11/20 0.49
PPARG P37231 2/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL2169390 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2168945 0.82 PPARD (0.59) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2169373 0.81 LTA4H (0.55) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2168236 0.80 LTA4H (0.55) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2168473 0.78 LTA4H (0.61) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2169640 0.78 LTA4H (0.56) LTA4H
SCHEMBL2167802 0.78 LTA4H (0.53) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4694286 0.77 LTA4H (0.50) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2169444 0.77 LTA4H (0.52) LTA4H
SCHEMBL2170021 0.76 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP claimed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US 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
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-08-30 US disclosed
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2022-07-21 US disclosed
US-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-05-31 US disclosed
EP-3793602-A1 TREATMENT OF AGING-ASSOCIATED DISEASE WITH MODULATORS OF LEUKOTRIENE A4 HYDROLASE Alkahest, Inc. (US) 2021-03-24 EP disclosed
CN-112469439-A With leukotriene A4Hydrolase modulators for the treatment of aging-related diseases 万能溶剂有限公司 2021-03-09 CN disclosed
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2020-11-26 US disclosed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO disclosed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP disclosed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
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 disclosed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO 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 (6 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-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CYP1A2 1204/4885CYP3A4 727/4885CYP2D6 2337/4885
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CYP1A2 1204/4885CYP3A4 727/4885CYP2D6 2337/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S CYP1A2 1204/4885CYP3A4 727/4885CYP2D6 2337/4885
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R CYP1A2 1031/4885CYP3A4 140/4885CYP2D6 926/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R CYP1A2 2109/4885CYP3A4 894/4885CYP2D6 2071/4885
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S CYP1A2 1204/4885CYP3A4 727/4885CYP2D6 2337/4885

“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.