SCHEMBL2647780

SCHEMBL2647780

CCOC(=O)CN(C)S(=O)(=O)c1nnc(N)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA3 P07451 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 3/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL970904 0.76 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL2648409 0.74 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL11176558 0.73 CA2 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL2647777 0.72 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL11175484 0.70 CA2 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL11174410 0.70 CA2 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL3902871 0.70 CA2 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL10128324 0.69 CA1 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL3909204 0.67 CA2 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL282768 0.67 HSD17B10 (0.70) ALDH1A1POLBSMN1; SMN2HTTTSHR

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 4 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
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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 (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 ALDH1A1 3782/4885CA12 3349/4885CA1 3286/4885

“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.