Sugi Predict

Sugi Predict / Compounds / SCHEMBL3358061

SCHEMBL3358061

SCHEMBL3358061

CCCCN(C)C(=O)c1cc(C(=O)O)cc(-c2ncco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.40
▸ GLRA3 O75311 1/20 0.40
▸ GLRB P48167 1/20 0.40
▸ CSNK2A2 P19784 2/20 0.38
▸ CSNK2B P67870 2/20 0.38
▸ CSNK2A1 P68400 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM5A P29375 3/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ PLA2G2A P14555 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
SCHEMBL3348971 0.93 GLRA3 (0.41) LTA4HGLRA3GLRBKDM5AKDM5B
SCHEMBL3354203 0.88 GLRA3 (0.56) LTA4HGLRA3GLRBCSNK2A2CSNK2B
SCHEMBL2207635 0.84 BACE1 (0.44) LTA4HGLRA3GLRBHPGDBACE1
Hydrochloric Acid SCHEMBL6172352 0.83 BACE1 (0.44) LTA4HGLRA3GLRBHPGDBACE1
SCHEMBL3354907 0.82 BACE1 (0.42) LTA4HGLRA3GLRBGAAHPGD
SCHEMBL6649712 0.82 LTA4H (0.51) LTA4HGLRA3GLRBKDM5AKDM5B
SCHEMBL3857566 0.81 GLRA3 (0.58) LTA4HGLRA3GLRBKDM5CEDNRB
SCHEMBL3350524 0.77 LTA4H (0.39) LTA4HCSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL6648461 0.77 NAAA (0.46) GLRA3GLRBGAAHPGDKDM5A
SCHEMBL20256885 0.76 GLRA3 (0.49) LTA4HGLRA3GLRBKDRKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 — — CN disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — 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 (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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 LTA4H 3001/4885GLRA3 329/4885GLRB 233/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP LTA4H 1941/4885GLRA3 502/4885GLRB 184/4885

“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.