SCHEMBL2648990

SCHEMBL2648990

CC1CCC(N(C(=O)Nc2ncc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)s2)C2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KCNQ1 P51787 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 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
SCHEMBL2648538 1.00 POLB (0.44) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648532 1.00 POLB (0.44) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648989 1.00 POLB (0.44) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648534 1.00 POLB (0.44) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2650760 0.94 POLB (0.47) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2650763 0.94 POLB (0.47) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648444 0.87 POLB (0.39) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648445 0.87 POLB (0.39) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648442 0.87 POLB (0.39) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL2648362 0.86 ALDH1A1 (0.39) POLBALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 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 (1 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 POLB 3011/4885MMP8 1685/4885MMP12 2980/4885

“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.