Sugi Predict

Sugi Predict / Compounds / SCHEMBL3356973

SCHEMBL3356973

SCHEMBL3356973

C[C@H](NC(O)[C@H](CCc1ccccc1)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.61
▸ METAP1 P53582 4/20 0.61
▸ EPHX2 P34913 2/20 0.52
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.42
▸ SLC6A4 P31645 3/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ CASR P41180 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MLNR O43193 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42

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
SCHEMBL6221380 0.83 METAP2 (0.59) METAP2METAP1EPHX2KMT2ALMNA
SCHEMBL6221378 0.83 METAP2 (0.59) METAP2METAP1EPHX2KMT2ALMNA
SCHEMBL16721027 0.75 METAP2 (0.52) METAP2METAP1EPHX2KMT2ASIGMAR1
SCHEMBL15540540 0.74 ALDH1A1 (0.54) METAP2METAP1LMNAGAASLC6A4
SCHEMBL12871845 0.74 ALDH1A1 (0.54) METAP2METAP1LMNAGAASLC6A4
SCHEMBL5578427 0.73 METAP2 (0.52) METAP2METAP1EPHX2LMNAGAA
Hydrochloric Acid SCHEMBL607851 0.73 ALDH1A1 (0.52) LMNAGAAADRA2CCASRALDH1A1
SCHEMBL6223352 0.72 CASR (0.71) METAP2METAP1EPHX2SIGMAR1SLC6A4
SCHEMBL28383212 0.72 ACP3 (0.50) METAP2METAP1EPHX2KMT2AACP3
SCHEMBL2130951 0.72 METAP2 (0.53) METAP2METAP1EPHX2KMT2ALMNA

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 2 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

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-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 METAP2 1100/4885METAP1 489/4885EPHX2 3436/4885

“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.