Sugi Predict

Sugi Predict / Compounds / SCHEMBL3347320

SCHEMBL3347320

SCHEMBL3347320

CCCN(CCC)C(=O)c1cc(Br)cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MLYCD O95822 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ XDH P47989 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
SCHEMBL3889495 0.88 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3349941 0.88 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL23532656 0.88 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3854874 0.86 NOTUM (0.48) NOTUMKDM4ELMNAALDH1A1CA12
SCHEMBL3351101 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL30029282 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3353747 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3349246 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL13333687 0.84 KDM4E (0.43) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3350536 0.82 CTSD (0.46) KDM4ELMNAALDH1A1MLYCDHPGD

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 46 patents — showing the first 20. 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-7553831-B2 Beta-secretase inhibitors; inhibiting cleavage of amyloid precursor protein (APP); hydroxy-functional disubstituted amines such as 6-(([[(2S,3S)-4-(3,5-difluorophenyl)-3-((3-[(dipropylamino)carbonyl]benzoyl)amino)-2-hydroxybutyl](ethyl)amino]carbonyl)amino)hexanoic acid ELAN PHARMACEUTICALS, INC. (US) 2009-06-30 — — US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 — — US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 — — US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 — — US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 — — US disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 — — CN disclosed
CN-101090883-A Substituted hydroxyethylamines ELAN PHARM INC (US) 2007-12-19 — — CN disclosed
WO-2004000821-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-12-31 — — WO disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 — — EP disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 — — CN disclosed
WO-2003072535-A2 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-09-04 — — WO disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — WO disclosed
US-20020143177-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-10-03 — — US disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 — — US disclosed
WO-2002002518-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 — — WO disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 — — WO disclosed
WO-2002002520-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 — — 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 (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-20020143177-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT NOTUM 1402/4885KDM4E 1844/4885LMNA 3448/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP NOTUM 2281/4885KDM4E 2432/4885LMNA 2308/4885

“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.