SCHEMBL3308648

SCHEMBL3308648

CCC(=O)Oc1ccc(N=C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ESR1 P03372 2/20 0.54
HIF1A Q16665 2/20 0.54
RECQL P46063 1/20 0.54
ELANE P08246 2/20 0.50
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL28493468 0.87 BCL9 (0.53) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL15708320 0.86 KMT2A (0.53) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL2577691 0.83 CYP3A4 (0.44) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL16270524 0.81 GAA (0.51) KMT2ASMN1; SMN2CYP3A4TSHRMAPT
SCHEMBL312147 0.81 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL3420578 0.80 LMNA (0.53) KMT2ASMN1; SMN2ESR1ELANECYP3A4
SCHEMBL15708348 0.80 CYP3A4 (0.42) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11445596 0.79 KMT2A (0.73) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10392664 0.79 KMT2A (0.42) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL15708839 0.79 KMT2A (0.42) KMT2ASMN1; SMN2ESR1HIF1ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
EP-1902063-A2 DERIVATIVES OF PENTOSE MONOSACCHARIDES AS ANTI-INFLAMMATORY COMPOUNDS Ranbaxy Laboratories Limited (IN) 2008-03-26 EP disclosed
EP-1874788-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-09 EP disclosed
EP-1842855-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-10 EP disclosed
WO-2007063356-A2 DERIVATIVES OF PENTOSE MONOSACCHARIDES AS ANTI-INFLAMMATORY COMPOUNDS RANBAXY LABORATORIES LIMITED (IN) 2007-06-07 WO disclosed
WO-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 WO disclosed
WO-2005100373-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-CANCER AND ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 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 (4 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-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 KMT2A 4199/4885SMN1; SMN2 4758/4885ESR1 983/4885
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF KMT2A 4338/4885SMN1; SMN2 4524/4885ESR1 4093/4885
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 KMT2A 4114/4885SMN1; SMN2 4734/4885ESR1 1001/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF KMT2A 4338/4885SMN1; SMN2 4524/4885ESR1 4093/4885

“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.