SCHEMBL5099644

SCHEMBL5099644

CCOC(=O)CC(=O)c1cc(C)cs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MIF P14174 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GSK3B P49841 3/20 0.39
NLRP3 Q96P20 2/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6826976 0.79 DAO (0.57) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL3752532 0.78 DAO (0.61) DAOMEN1KMT2AHTTGSK3B
SCHEMBL8187594 0.77 DAO (0.50) DAOALDH1A1GSK3BMAPTLMNA
SCHEMBL15979699 0.76 DAO (0.63) DAOALDH1A1MEN1KMT2AGAA
SCHEMBL640429 0.76 DAO (0.53) DAOALDH1A1MEN1KMT2AGAA
SCHEMBL6790693 0.74 GSK3B (0.66) DAOGSK3BMAPT
SCHEMBL81392 0.73 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL15547606 0.73 DAO (0.59) DAOALDH1A1HTTGSK3BMAPT
SCHEMBL26970953 0.73 DAO (0.59) DAOALDH1A1HTTGSK3BMAPT
SCHEMBL6976089 0.72 SMN1; SMN2 (0.47) DAOALDH1A1MEN1KMT2AMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (5 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DAO 1902/4885ALDH1A1 3522/4885MEN1 3334/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DAO 1774/4885ALDH1A1 3532/4885MEN1 3376/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR DAO 177/4885ALDH1A1 1045/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DAO 205/4885ALDH1A1 682/4885MEN1 2072/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DAO 1774/4885ALDH1A1 3532/4885MEN1 3376/4885

“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.