SCHEMBL1618995

SCHEMBL1618995

CC1(C)CCC(C)(C)c2cc(C(C)(C)c3ccc(CN4C(=O)CSC4=O)cc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
GSK3A P49840 3/20 0.50
GSK3B P49841 3/20 0.50
RXRA P19793 3/20 0.49
RXRB P28702 2/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 5/20 0.42
PPARG P37231 1/20 0.36
PIM1 P11309 1/20 0.36
KCNN4 O15554 1/20 0.35
RXRG P48443 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1619134 0.81 RXRA (0.53) POLBGSK3AGSK3BRXRARXRB
SCHEMBL1619136 0.75 RXRA (0.51) RXRARXRBHDAC1HDAC6ALDH1A1
SCHEMBL13716899 0.75 RXRA (0.50) POLBGSK3AGSK3BRXRARXRB
SCHEMBL7460353 0.74 GSK3A (0.48) POLBGSK3AGSK3BRXRARXRB
SCHEMBL5492232 0.74 RARG (0.49) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL7461714 0.73 GSK3A (0.44) POLBGSK3AGSK3BRXRARXRB
SCHEMBL7464561 0.73 GSK3A (0.47) POLBGSK3AGSK3BRXRARXRB
SCHEMBL3979262 0.73 RXRA (0.55) POLBGSK3AGSK3BRXRARXRB
SCHEMBL7252535 0.73 GSK3A (0.82) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL7459796 0.72 POLB (0.45) POLBGSK3AGSK3BHDAC1HDAC6

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392326-B1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS ORTHO MCNEIL JANSSEN PHARM (US) 2009-09-09 EP claimed
US-20090075864-A1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS BUSSOLARI JACQUELINE C 2009-03-19 US claimed
US-6838442-B2 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-04 US claimed
EP-1392326-A1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS Ortho McNeil Pharmaceutical, Inc. (US) 2004-03-03 EP claimed
US-20030195235-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-x receptor modulators BUSSOLARI JACQUELINE C (US) 2003-10-16 US claimed
US-20030055091-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-03-20 US claimed
WO-2002080935-A1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-17 WO 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-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-8236819-B2 Dihydro-[1H]-quinolin-2-one derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-07 US disclosed
US-8183213-B2 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2012-05-22 US disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases MAXIA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-20030055091-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-03-20 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
WO-2002080935-A1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-17 WO 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 (4 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-20030055091-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators GPR119, SLC2A4, SLC2A1 POLB 3742/4885GSK3A 3721/4885GSK3B 3736/4885
US-20030195235-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-x receptor modulators GPR119, SLC2A4, SLC2A1 POLB 3742/4885GSK3A 3721/4885GSK3B 3736/4885
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, PPARG, CPT2 POLB 4336/4885GSK3A 1003/4885GSK3B 774/4885
US-20090075864-A1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS GPR119, SLC2A4, SLC2A1 POLB 3742/4885GSK3A 3721/4885GSK3B 3736/4885

“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.