SCHEMBL5028056

SCHEMBL5028056

COc1cccc(NC(C)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
STAT1 P42224 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
MTNR1A P48039 4/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL2704334 0.82 TSHR (0.53) MTNR1BTSHRNPC1ALDH1A1LMNA
SCHEMBL5028021 0.82 ALDH1A1 (0.41) TSHRALDH1A1LMNAMAPK1RAB9A
SCHEMBL9133529 0.79 MTNR1A (0.55) MTNR1BTSHRNPC1ALDH1A1LMNA
SCHEMBL2704687 0.77 MAPT (0.43) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17604272 0.76 MAPT (0.49) MTNR1BTSHRALDH1A1MAPTMAPK1
SCHEMBL8770863 0.75 L3MBTL1 (0.66) MTNR1BMTNR1A
SCHEMBL21790727 0.74 ALDH1A1 (0.52) MTNR1BTSHRNPC1ALDH1A1MAPT
SCHEMBL2885762 0.74 MTNR1A (0.54) MTNR1BMTNR1A
SCHEMBL281590 0.74 RAB9A (0.59) MTNR1BTSHRNPC1ALDH1A1LMNA
SCHEMBL9781352 0.73 ALDH1A1 (0.51) MTNR1BTSHRALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 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 (1 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MTNR1B 3263/4885TSHR 3774/4885NPC1 245/4885

“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.