Sugi Predict

Sugi Predict / Compounds / SCHEMBL2669489

SCHEMBL2669489

SCHEMBL2669489

COc1cccc(CCCN(C(=O)Nc2ncc(SCC(=O)O)s2)[C@H]2CC[C@H](C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.43
▸ ITK Q08881 3/20 0.40
▸ CCNE2 O96020 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ GCK P35557 2/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL2657303 1.00 ROCK2 (0.43) ROCK2ITKCCNE2CCNE1CDK2
SCHEMBL1240698 0.96 ROCK2 (0.44) ROCK2ITKCCNE2CCNE1CDK2
SCHEMBL2668609 0.96 ROCK2 (0.44) ROCK2ITKCCNE2CCNE1CDK2
SCHEMBL2659429 0.91 GCK (0.42) ITKCCNE2CCNE1CDK2CCNB2
SCHEMBL10154343 0.91 GCK (0.42) ITKCCNE2CCNE1CDK2CCNB2
SCHEMBL2668578 0.90 CCNE1 (0.48) ITKCCNE2CCNE1CDK2CCNB2
SCHEMBL1238490 0.90 CCNE1 (0.48) ITKCCNE2CCNE1CDK2CCNB2
SCHEMBL2658557 0.89 ITK (0.41) ITKCCNE2CCNE1CDK2CCNB2
SCHEMBL2658560 0.89 ITK (0.41) ITKCCNE2CCNE1CDK2CCNB2
SCHEMBL12828942 0.89 ROCK2 (0.43) ROCK2CCNE2CCNE1CDK2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 — — US disclosed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 — — US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 — — 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
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 — — US 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 ROCK2 2951/4885ITK 847/4885CCNE2 2292/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ROCK2 2951/4885ITK 847/4885CCNE2 2292/4885

“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.