SCHEMBL5654523

SCHEMBL5654523

CNS(=O)(=O)c1ccc2c(c1)C(C)(C)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PNMT P11086 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39

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
SCHEMBL5657117 0.83 NOTUM (0.45) NOTUMPNMTRARBRARGRARA
SCHEMBL23554960 0.82 PKM (0.55) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5656855 0.81 RARB (0.45) NOTUMNPC1RAB9AALDH1A1RARB
SCHEMBL5656647 0.81 NOTUM (0.44) NOTUMNPC1RAB9ARARBRARG
SCHEMBL9617566 0.78 GAA (0.47) NOTUMLMNAMEN1ALDH1A1KMT2A
SCHEMBL9617620 0.77 PTGS1 (0.41) NOTUMRARBRARGRARAPTGS1
SCHEMBL11447834 0.75 RARB (0.41) NOTUMRARBRARGRARAPTGS1
SCHEMBL5656244 0.75 CYP26A1 (0.36) NOTUMNPC1RAB9ALMNAL3MBTL1
SCHEMBL11449845 0.72 ALDH1A1 (0.46) LMNAL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL28410110 0.72 NOTUM (0.47) NOTUMRARBRARGRARAPTGS1

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-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 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-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 NOTUM 1917/4885NPC1 103/4885RAB9A 3974/4885

“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.