Sugi Predict

Sugi Predict / Compounds / SCHEMBL4150632

SCHEMBL4150632

SCHEMBL4150632

CC(C)(C)N(C(=O)O)[C@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL2807726 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AP2RX7PSEN1
SCHEMBL193383 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AP2RX7PSEN1
SCHEMBL5065808 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AP2RX7PSEN1
SCHEMBL5065810 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AP2RX7PSEN1
SCHEMBL4596549 0.86 RAB9A (0.40) ALDH1A1MTNR1AMTNR1BRAB9ASIGMAR1
SCHEMBL193021 0.82 NTRK1 (0.37) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL5730688 0.81 HTR2A (0.40) ALDH1A1MEN1KMT2AP2RX7PSEN1
SCHEMBL2115505 0.81 NR1H2 (0.34) —
SCHEMBL29854859 0.77 SIGMAR1 (0.33) ALDH1A1HTR2AHTR2CHTR2BHRH3
SCHEMBL1027767 0.74 NPY5R (0.41) HTR2AHTR2CHTR2BHRH3MTNR1A

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
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 — — US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 — — US disclosed
EP-1658069-B1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 — — EP disclosed
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 — — 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 (3 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885MEN1 3151/4885KMT2A 1852/4885
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 ALDH1A1 3170/4885MEN1 3606/4885KMT2A 2336/4885
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 ALDH1A1 1178/4885MEN1 2657/4885KMT2A 1561/4885

“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.