Sugi Predict

Sugi Predict / Compounds / SCHEMBL3346919

SCHEMBL3346919

SCHEMBL3346919

COc1cccc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)CNCc3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.49
▸ CTSD P07339 11/20 0.49
▸ BACE2 Q9Y5Z0 10/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL3346912 1.00 BACE1 (0.49) BACE1CTSDBACE2LMNARAB9A
SCHEMBL3349712 0.94 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL3349721 0.94 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL3351071 0.89 LMNA (0.51) BACE1CTSDBACE2LMNARAB9A
SCHEMBL3351061 0.89 LMNA (0.51) BACE1CTSDBACE2LMNARAB9A
SCHEMBL3349531 0.89 BACE1 (0.49) BACE1CTSDLMNA
SCHEMBL3349523 0.89 BACE1 (0.49) BACE1CTSDLMNA
SCHEMBL3352005 0.88 BACE1 (0.64) BACE1CTSDBACE2LMNARAB9A
SCHEMBL3351999 0.88 BACE1 (0.64) BACE1CTSDBACE2LMNARAB9A
SCHEMBL3356451 0.86 BACE1 (0.60) BACE1CTSDBACE2

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
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US claimed
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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US 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 BACE1 1/4885CTSD 249/4885BACE2 2/4885
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 BACE1 1/4885CTSD 96/4885BACE2 2/4885

“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.