SCHEMBL2658377

SCHEMBL2658377

CC1CCC(N(CCOCc2ccc(F)cc2Cl)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCND1 P24385 1/20 0.31

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
SCHEMBL2658372 1.00 PPARG (0.35) PPARGPPARDPPARATRPV1MEN1
SCHEMBL2656135 0.93 PPARG (0.39) PPARGPPARDPPARASLC6A2SLC6A4
SCHEMBL2656133 0.93 PPARG (0.39) PPARGPPARDPPARASLC6A2SLC6A4
SCHEMBL2655755 0.92 SLC6A4 (0.37) PPARGPPARDPPARASLC6A2SLC6A4
SCHEMBL2655757 0.92 SLC6A4 (0.37) PPARGPPARDPPARASLC6A2SLC6A4
SCHEMBL2656153 0.90 PPARG (0.34) PPARGPPARDPPARATRPV1MEN1
SCHEMBL2656154 0.90 PPARG (0.34) PPARGPPARDPPARATRPV1MEN1
SCHEMBL1240556 0.90 ADORA2A (0.35) PPARACCNB2CCNE2CDK1CDK4
SCHEMBL1238491 0.89 CCNB2 (0.34) PPARGPPARDPPARATRPV1MEN1
SCHEMBL1238734 0.87 ADORA2A (0.35) PPARGPPARDPPARACCNB2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US claimed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 — — EP claimed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 — — WO claimed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 — — US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 — — US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 — — US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 — — EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 — — 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PPARG 623/4885PPARD 1230/4885PPARA 1441/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PPARG 623/4885PPARD 1230/4885PPARA 1441/4885

“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.

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