SCHEMBL13286345

SCHEMBL13286345

NC(=O)CCC(=O)ONCCN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.38
▸ PTGS2 P35354 7/20 0.38
▸ MGLL Q99685 6/20 0.36
▸ FAAH O00519 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ WRN Q14191 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 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
SCHEMBL28962212 0.80 ALDH1A1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL27939874 0.79 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL30029932 0.77 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL31031854 0.76 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL1827739 0.74 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL255340 0.74 MGLL (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL1704532 0.73 MGLL (0.62) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL26971749 0.72 MGLL (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL31038302 0.72 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22398888 0.71 PTGS1 (0.69) PTGS1PTGS2MGLLFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172967-A1 COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-08 — — US disclosed
US-7696359-B2 Compound modified with glycerol derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-13 — — 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 (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-20100172967-A1 COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE NPC1L1, SGMS1, SCARB1 PTGS1 764/4885PTGS2 1643/4885MGLL 29/4885

“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.

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