Sugi Predict

Sugi Predict / Compounds / SCHEMBL15080487

SCHEMBL15080487

SCHEMBL15080487

O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CC([SH](=O)=O)C1=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 4/20 0.36
▸ FAAH O00519 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSP90AA1 P07900 1/20 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
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR35 Q9HC97 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
SCHEMBL16863817 0.95 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13227716 0.95 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16489106 0.82 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL24196255 0.81 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14281129 0.81 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL947390 0.80 PTGS1 (0.37) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15080490 0.79 FAAH (0.40) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL4536494 0.79 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL9914760 0.78 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL4536490 0.78 PTGS1 (0.35) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9068013-B2 Recombinant lectins, binding-site modified lectins and uses thereof SMART CELLS, INC. (US) 2015-06-30 — — US disclosed
US-8475765-B2 Hydroxyalkyl starch derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-07-02 — — US disclosed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 — — US disclosed
US-20110054152-A1 Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2011-03-03 — — US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 — — 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 (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-20110054152-A1 Hydroxyalkyl Starch Derivatives GRHPR, DCXR, HRH2 PTGS1 482/4885PTGS2 441/4885MGLL 23/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR PTGS1 3311/4885PTGS2 3437/4885MGLL 4088/4885

“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.