SCHEMBL5452576

SCHEMBL5452576

CCOC(OCC)C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HIF1A Q16665 1/20 0.42
CTSD P07339 2/20 0.37
THRB P10828 1/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19113345 0.81
SCHEMBL20118159 0.77 THRB (0.36) THRBALOX15GAAMGAMSI
SCHEMBL5597085 0.74 CA1 (0.35) CA1CA2HIF1ACTSD
SCHEMBL11829302 0.74
SCHEMBL27807312 0.72 ALOX15 (0.42) THRBALOX15GAAMGAMSI
SCHEMBL656778 0.71 ALOX15 (0.42) CA1CA2HIF1AALOX15GAA
SCHEMBL559406 0.70 ALOX15 (0.46) CA1CA2THRBALOX15GAA
SCHEMBL10542832 0.70 S1PR2 (0.39) CA1CA2ALDH1A1TSHR
SCHEMBL15189342 0.70 USP2 (0.52) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL29163507 0.70 CTSD (0.43) CA1CA2CTSDTHRBALOX15

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547717-B2 Ion channel modulators WYETH (US) 2009-06-16 US disclosed
US-7547717-B2 Ion channel modulators WYETH (US) 2009-06-16 US disclosed
US-20080139560-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2008-06-12 US disclosed
US-20080139560-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2008-06-12 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20070208070-A1 Ion channel modulators WYETH 2007-09-06 US disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
CN-1934095-A Ion channel modulators WYETH CORP (US) 2007-03-21 CN disclosed
EP-1723123-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
US-4622393-A 3-vinyl-cephalosporins and their preparations RHONE-POULENC INDUSTRIES (FR) 1986-11-11 US disclosed
US-4415562-A 3-Thiovinylcephalosporins and pharmaceutical compositions RHONE-POULENC INDUSTRIES (FR) 1983-11-15 US disclosed
US-3946032-A Acetal derivatives of 6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxaldehyde CIBA-GEIGY CORPORATION (US) 1976-03-23 US disclosed
US-3941799-A 6-Substituted-11b-phenyl-3, 11bH-oxazirino[2,3-d]-s-triazol[4,3-a][1,4]benzodiazepines CIBA-GEIGY CORPORATION (US) 1976-03-02 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 (3 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-20070208070-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 CA1 869/4885CA2 183/4885HIF1A 3067/4885
US-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 CA1 869/4885CA2 183/4885HIF1A 3067/4885
US-20080139560-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 CA1 869/4885CA2 183/4885HIF1A 3067/4885

“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.