SCHEMBL5662195

SCHEMBL5662195

CS(=O)(=O)Oc1ccc2cc(CO)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
SLC2A1 P11166 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 5/20 0.40
CA12 O43570 3/20 0.40

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
SCHEMBL978183 0.83 PPARA (0.46) PTGS2ALDH1A1KDM4ECA2CA12
SCHEMBL5661348 0.83 PTGS2 (0.47) PTGS2SLC2A1ALDH1A1PTGS1AKR1C3
SCHEMBL8758020 0.81 PTGS2 (0.46) PTGS2SLC2A1ALDH1A1PTGS1AKR1C3
SCHEMBL3934056 0.81 FAAH (0.47) ALDH1A1SMN1; SMN2CA2CA9CA1
SCHEMBL5865265 0.80 HSD11B1 (0.45) PTGS2SLC2A1PTGS1AKR1C3AKR1C2
SCHEMBL11410037 0.79 PTGS2 (0.51) PTGS2SLC2A1ALDH1A1KDM4ELMNA
SCHEMBL31499216 0.76 PTGS2 (0.54) PTGS2SLC2A1ALDH1A1KDM4ELMNA
SCHEMBL2666094 0.76 PTGS1 (0.62) PTGS2SLC2A1ALDH1A1PTGS1AKR1C3
SCHEMBL1395608 0.76 CA2 (0.66) ALDH1A1KDM4ELMNAMAPTCYP1A2
SCHEMBL15998758 0.75 LTA4H (0.54) PTGS2PTGS1AKR1C3AKR1C2KDM4E

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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 PTGS2 4192/4885SLC2A1 603/4885ALDH1A1 2751/4885

“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.