SCHEMBL5487597

SCHEMBL5487597

COc1cc(O)c(CN2C(=O)CSC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
PIM1 P11309 1/20 0.36
RXRA P19793 7/20 0.35
RXRG P48443 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
RXRB P28702 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL5486165 0.91 GSK3A (0.36) GSK3AGSK3BPIM1RXRARXRG
SCHEMBL5491235 0.89 GSK3A (0.42) GSK3AGSK3BPIM1RXRARXRG
SCHEMBL7468575 0.84 KMT2A (0.46) GSK3AGSK3BRXRARXRGALDH1A1
SCHEMBL5489805 0.83 RXRA (0.35) GSK3AGSK3BRXRARXRGALDH1A1
SCHEMBL5492206 0.82 GSK3A (0.39) GSK3AGSK3BRXRAALDH1A1KMT2A
SCHEMBL5492253 0.81 GAA (0.40) GSK3AGSK3BPIM1RXRARXRG
SCHEMBL7463442 0.81 ALDH1A1 (0.46) GSK3AGSK3BPIM1RXRARXRG
SCHEMBL7459946 0.81 PIM1 (0.41) GSK3AGSK3BPIM1RXRARXRG
SCHEMBL7462919 0.81 PIM1 (0.41) GSK3AGSK3BPIM1RXRARXRG
SCHEMBL5485145 0.80 RXRA (0.46) GSK3AGSK3BPIM1RXRARXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515003-B1 Useful in the treatment of diseases related to lipid and carbohydrate metabolism MAXIA PHARMACEUTICALS, INC. 2003-02-04 US claimed
EP-1214304-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP claimed
WO-2001016122-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed
US-7226940-B2 Substituted heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. (US) 2007-06-05 US disclosed
US-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-01-05 US disclosed
US-6974826-B2 Imidazolidinedione derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2005-12-13 US disclosed
EP-1593677-A2 Benzylidene-thiazolidinediones and analogues and their use in the treatment of diabetes Incyte San Diego Incorporated (US) 2005-11-09 EP disclosed
EP-1214304-B1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES INCYTE SAN DIEGO INC (US) 2005-08-24 EP disclosed
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. 2005-03-31 US disclosed
US-6765013-B2 ANTIPROLIFERATIVE AGENTS FOR TREATING ADIPOCYTE DIFFERENTIATION, CANCER, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CROHN'S DISEASE OR INFLAMMATORY BOWEL DISEASE INCYTE SAN DIEGO 2004-07-20 US disclosed
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases MAXIA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6515003-B1 Useful in the treatment of diseases related to lipid and carbohydrate metabolism MAXIA PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1214304-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001016122-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 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 (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-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases FABP4, HPGDS, GPR119 GSK3A 1360/4885GSK3B 1164/4885PIM1 2383/4885
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, PPARG, CPT2 GSK3A 1003/4885GSK3B 774/4885PIM1 2030/4885
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, GPR119, IL2 GSK3A 1537/4885GSK3B 1261/4885PIM1 636/4885

“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.