SCHEMBL15080490

SCHEMBL15080490

O=C(CCCc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CC([SH](=O)=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.40
MGLL Q99685 7/20 0.40
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
DDAH1 O94760 1/20 0.32
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10032833 0.85 FAAH (0.44) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL5037159 0.82 FAAH (0.39) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL45163 0.82 FAAH (0.39) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL43979 0.81 MGLL (0.48) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL13996137 0.80 FAAH (0.37) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL15080487 0.79 PTGS1 (0.38) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL13227716 0.77 PTGS1 (0.45) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL16863817 0.77 PTGS1 (0.45) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL10684870 0.77 MGLL (0.41) FAAHMGLLNPSR1ALDH1A1KMT2A
SCHEMBL28349580 0.76 MGLL (0.43) FAAHMGLLNPSR1ALDH1A1KMT2A

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 FAAH 1162/4885MGLL 23/4885NPSR1 1261/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR FAAH 3650/4885MGLL 4088/4885NPSR1 436/4885

“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.