Sugi Predict

Sugi Predict / Compounds / SCHEMBL2647722

SCHEMBL2647722

SCHEMBL2647722

C[C@H]1CC[C@H](N(C(=O)Nc2ncc(S(=O)(=O)NCCC(=O)O)s2)C2CCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK5 Q00535 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK1 P28482 2/20 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
SCHEMBL2647726 1.00 S1PR1 (0.37) S1PR1S1PR3S1PR5SMN1; SMN2RAB9A
SCHEMBL2647044 0.94 S1PR1 (0.38) S1PR1S1PR3S1PR5SMN1; SMN2RAB9A
SCHEMBL2649416 0.91 ALDH1A1 (0.36) S1PR1S1PR3SMN1; SMN2RAB9AGAA
SCHEMBL2647973 0.91 SMN1; SMN2 (0.36) S1PR1SMN1; SMN2RAB9AGAANPC1
SCHEMBL2649409 0.91 ALDH1A1 (0.36) S1PR1S1PR3SMN1; SMN2RAB9AGAA
SCHEMBL2648938 0.87 S1PR1 (0.35) S1PR1S1PR3S1PR5SMN1; SMN2RAB9A
SCHEMBL2648944 0.87 S1PR1 (0.35) S1PR1S1PR3S1PR5SMN1; SMN2RAB9A
SCHEMBL2647765 0.85 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL2647767 0.85 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL2648470 0.85 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AGAANPC1MAPT

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 8 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-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
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
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — 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 S1PR1 4618/4885S1PR3 4696/4885S1PR5 4633/4885

“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.