SCHEMBL4163589

SCHEMBL4163589

CC(=O)Oc1ccc(N=C=O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
CYP3A4 P08684 1/20 0.49
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CFD P00746 2/20 0.39
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.36
NR3C1 P04150 1/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9491045 0.87 TSHR (0.50) TRPA1CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL11184869 0.83 TSHR (0.54) CYP3A4ALDH1A1KDM4ETSHRGAA
SCHEMBL17010343 0.81 CFD (0.59) TRPA1CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL9041179 0.78 HTT (0.42) TRPA1CYP3A4ACHEALDH1A1KDM4E
SCHEMBL9859232 0.74 CYP3A4 (0.49) TRPA1CYP3A4ALDH1A1TSHRMAPK1
SCHEMBL3420578 0.74 LMNA (0.53) TRPA1CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL8945637 0.74 PRSS1 (0.44) ALDH1A1KDM4EMAPK1KMT2APOLB
SCHEMBL1799618 0.73 LMNA (0.52) CYP3A4ACHEALDH1A1KDM4ETSHR
SCHEMBL10496476 0.73 CFD (0.61) ACHEALDH1A1KDM4ETSHRGAA
SCHEMBL58809 0.73 CYP3A4 (0.70) TRPA1CYP3A4ALDH1A1KDM4ETSHR

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-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-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-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 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 (2 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 TRPA1 351/4885CYP3A4 2329/4885ACHE 2915/4885
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 TRPA1 397/4885CYP3A4 1836/4885ACHE 2661/4885

“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.