Sugi Predict

Sugi Predict / Compounds / SCHEMBL3354066

SCHEMBL3354066

SCHEMBL3354066

O=C(O)NC(CO)CCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ CYP2C19 P33261 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CTRB1 P17538 2/20 0.40
▸ CTSB P07858 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
SCHEMBL3407618 0.90 MMP3 (0.46) SMN1; SMN2HTTFOLH1CYP3A4MAPK1
SCHEMBL3408895 0.90 MMP3 (0.46) SMN1; SMN2HTTFOLH1CYP3A4MAPK1
SCHEMBL21338634 0.88 HTT (0.45) SMN1; SMN2HTTFOLH1CYP2C19CYP3A4
SCHEMBL5470004 0.84 FOLH1 (0.48) SMN1; SMN2HTTFOLH1CYP3A4MAPK1
SCHEMBL2228752 0.84 FOLH1 (0.48) SMN1; SMN2HTTFOLH1CYP3A4MAPK1
SCHEMBL15716271 0.84 FOLH1 (0.48) SMN1; SMN2HTTFOLH1CYP3A4MAPK1
SCHEMBL1569316 0.83 PPARA (0.59) CTSB
SCHEMBL1363391 0.83 PPARA (0.59) CTSB
SCHEMBL35211707 0.83 PPARA (0.59) CTSB
SCHEMBL3932378 0.81 CASP1 (0.46) SMN1; SMN2LMNACTRB1

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 6 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-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
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 SMN1; SMN2 548/4885HTT 219/4885FOLH1 296/4885
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 SMN1; SMN2 1298/4885HTT 493/4885FOLH1 2698/4885

“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.