SCHEMBL5493516

SCHEMBL5493516

COc1ccc(/C=C2/SC(=O)NC2=O)cc1-c1cc2c(cc1C(F)(F)F)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 12/20 0.58
CYP3A4 P08684 3/20 0.58
PIM1 P11309 2/20 0.56
PDE4B Q07343 2/20 0.56
PIM3 Q86V86 2/20 0.56
PIM2 Q9P1W9 2/20 0.56
ESRRB O95718 1/20 0.54
ESR1 P03372 1/20 0.54
ESRRG P62508 1/20 0.54
ESR2 Q92731 1/20 0.54
FOXM1 Q08050 1/20 0.51
GSK3B P49841 3/20 0.50
IGF1R P08069 1/20 0.50
CDC7 O00311 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
MAP4K4 O95819 1/20 0.50
PHKG2 P15735 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CSNK1D P48730 1/20 0.50

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
SCHEMBL14492770 1.00 ESRRA (0.58) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL5493517 1.00 ESRRA (0.58) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL7468327 0.92 ESRRA (0.58) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL7468330 0.92 ESRRA (0.58) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL14492773 0.91 RXRA (0.56) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL5486039 0.91 RXRA (0.56) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL5486040 0.91 RXRA (0.56) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL5491435 0.87 ESRRA (0.48) ESRRACYP3A4PIM1PIM2ESRRB
SCHEMBL5491428 0.87 ESRRA (0.48) ESRRACYP3A4PIM1PIM2ESRRB
SCHEMBL14492771 0.87 ESRRA (0.48) ESRRACYP3A4PIM1PIM2ESRRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214304-B1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES INCYTE SAN DIEGO INC (US) 2005-08-24 EP claimed
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 ESRRA 352/4885CYP3A4 779/4885PIM1 2383/4885
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, PPARG, CPT2 ESRRA 336/4885CYP3A4 311/4885PIM1 2030/4885
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, GPR119, IL2 ESRRA 671/4885CYP3A4 600/4885PIM1 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.