Sugi Predict

Sugi Predict / Compounds / SCHEMBL1003585

SCHEMBL1003585

SCHEMBL1003585

COC(=O)c1cc2c([nH]1)CC(C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ACHE P22303 10/20 0.40
▸ MAPT P10636 1/20 0.36
▸ XDH P47989 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 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
SCHEMBL12777358 0.83 ALOX15 (0.41) GAAKDM4EACHEMAPTKMT2A
SCHEMBL8144810 0.83 ALOX15 (0.41) GAAKDM4EACHEMAPTKMT2A
SCHEMBL1004076 0.75 ACHE (0.43) CYP1A2ACHEXDHKMT2ALMNA
SCHEMBL1004484 0.73 CYP1A2 (0.49) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1003990 0.72 CYP1A2 (0.44) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1005769 0.71 TSHR (0.49) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1004723 0.71 CYP1A2 (0.42) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1004062 0.69 CYP1A2 (0.44) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1003796 0.69 CYP1A2 (0.44) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1005211 0.68 CYP1A2 (0.42) CYP1A2GLAGAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 — — WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 — — WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 — — 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885GLA 748/4885GAA 309/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885GLA 748/4885GAA 309/4885

“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.