SCHEMBL5490078

SCHEMBL5490078

COc1c(F)cc(CN2C(=O)CSC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RXRA P19793 6/20 0.32
RXRG P48443 3/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
RXRB P28702 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7462758 0.89 PIM1 (0.42) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL7459946 0.87 PIM1 (0.41) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5488628 0.85 GSK3A (0.39) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5484263 0.84 RXRA (0.33) GSK3AGSK3BRXRARXRGRARA
SCHEMBL7465028 0.80 GSK3A (0.38) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5492253 0.80 GAA (0.40) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5486165 0.80 GSK3A (0.36) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL7462900 0.80 KMT2A (0.38) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL7462919 0.79 PIM1 (0.41) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5484257 0.79 RXRA (0.31) RXRARXRGRARBRARGRXRB

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 PIM1 2383/4885GSK3A 1360/4885GSK3B 1164/4885
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, PPARG, CPT2 PIM1 2030/4885GSK3A 1003/4885GSK3B 774/4885
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, GPR119, IL2 PIM1 636/4885GSK3A 1537/4885GSK3B 1261/4885

“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.