SCHEMBL3200430

SCHEMBL3200430

CC1CCC(N(CCOCc2ccc(F)cc2C(F)(F)F)C(=O)Nc2ncc(SCC(C)(C)C(=O)O)s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.37
SLC6A2 P23975 10/20 0.37
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CDK2 P24941 6/20 0.34
CCNE2 O96020 4/20 0.34
CCNE1 P24864 4/20 0.34
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CDK4 P11802 2/20 0.34
CCNB1 P14635 2/20 0.34
CCND1 P24385 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
ACHE P22303 1/20 0.34
CDK9 P50750 3/20 0.32
CDK7 P50613 2/20 0.32
P2RX7 Q99572 1/20 0.32
CIT O14578 1/20 0.32
CASK O14936 1/20 0.32

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
SCHEMBL2658691 1.00 SLC6A4 (0.37) SLC6A4SLC6A2PPARGPPARDPPARA
SCHEMBL2655242 0.94 PPARG (0.38) PPARGPPARDPPARACDK2CCNE2
SCHEMBL2655244 0.94 PPARG (0.38) PPARGPPARDPPARACDK2CCNE2
SCHEMBL2656153 0.92 PPARG (0.34) PPARGPPARDPPARACDK2CCNE2
SCHEMBL2656154 0.92 PPARG (0.34) PPARGPPARDPPARACDK2CCNE2
SCHEMBL1240332 0.91 SLC6A4 (0.38) SLC6A4SLC6A2PPARGPPARDPPARA
SCHEMBL1241874 0.91 CDK2 (0.36) SLC6A4SLC6A2CDK2CCNE2CCNE1
SCHEMBL2656357 0.91 CDK2 (0.36) SLC6A4SLC6A2CDK2CCNE2CCNE1
SCHEMBL2655755 0.90 SLC6A4 (0.37) SLC6A4SLC6A2PPARGPPARDPPARA
SCHEMBL2655757 0.90 SLC6A4 (0.37) SLC6A4SLC6A2PPARGPPARDPPARA

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 5 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
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

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 SLC6A4 3699/4885SLC6A2 2553/4885PPARG 623/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 SLC6A4 3699/4885SLC6A2 2553/4885PPARG 623/4885

“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.