SCHEMBL6380324

SCHEMBL6380324

C=C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.35
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.32
DGAT1 O75907 1/20 0.30

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
SCHEMBL23161821 0.88 TSHR (0.50) CYP2D6TSHRDGAT1
SCHEMBL23161369 0.88 TSHR (0.39) STING1CYP2D6EPHX2HDAC3HDAC1
SCHEMBL9644895 0.88 EPHX2 (0.41) STING1CYP2D6EPHX2HDAC3HDAC1
SCHEMBL4079989 0.83 TET2 (0.41) STING1CYP2D6EPHX2HDAC3HDAC1
SCHEMBL7537722 0.83 EGLN1 (0.38) HDAC3HDAC1HDAC2HDAC8TSHR
SCHEMBL644646 0.82 TSHR (0.45) STING1CYP2D6EPHX2HDAC3HDAC1
SCHEMBL20851059 0.82 STING1 (0.34) STING1CYP2D6EPHX2HDAC3HDAC1
SCHEMBL395187 0.81 ALDH1A1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL678671 0.81 CYP2D6 (0.39) CYP2D6EPHX2HDAC3HDAC1HDAC2
SCHEMBL17533569 0.81 TSHR (0.46) EPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093453-B1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARM INC (US) 2005-09-28 EP disclosed
EP-1571141-A2 Naaladase inhibitors useful as pharmaceutical compounds and compositions GUILFORD PHARMACEUTICALS INC. (US) 2005-09-07 EP disclosed
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions JACKSON PAUL F (US) 2003-05-01 US disclosed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-01-16 US disclosed
US-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
EP-1202717-A2 NAALADASE INHIBITORS IN ANXIETY AND MEMORY DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 2002-05-08 EP disclosed
US-6376478-B1 N-ACETYLATED (ALPHA)-LINKED ACIDIC DIPEPTIDASE INHIBITOR; BLOCKS RELEASE OF GLUTAMTE PRE-SYNAPTICALLY FOR REDUCED TOXICITY GUILFORD PHARMACEUTICALS INC. 2002-04-23 US disclosed
US-6228888-B1 Methods for treating anxiety, anxiety disorders and memory impairment using naaladase inhibitors GUILFORD PHARMACEUTICALS INC. 2001-05-08 US disclosed
EP-1093453-A1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2001-04-25 EP disclosed
WO-2001001974-A2 NAALADASE INHIBITORS IN ANXIETY AND MEMORY DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 2001-01-11 WO disclosed
US-6071965-A TO INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY AND TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-06-06 US disclosed
US-6028216-A Asymmetric syntheses and intermediates for preparing enantiomer-enriched hydroxyphosphinyl derivatives GUILFORD PHARMACEUTICALS INC. (US) 2000-02-22 US disclosed
WO-2000001668-A2 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2000-01-13 WO disclosed
WO-1999033847-A9 PHOSPHINIC ALKANOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 1999-09-23 WO disclosed
WO-1999033847-A1 PHOSPHINIC ALKANOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-07-08 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 (3 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 STING1 4134/4885CYP2D6 3489/4885EPHX2 1174/4885
US-20030013687-A1 Pharmaceutical compositions and methods for treating anxiety, anxiety disorders and memory impairment using NAALADase inhibitors GRIN1, GRIN2A, GRIN2B STING1 3962/4885CYP2D6 1673/4885EPHX2 687/4885
US-20030083374-A1 NAALADase inhibitors useful as pharmaceutical compounds and compositions NAALAD2, DNPEP, NAAA STING1 3955/4885CYP2D6 3486/4885EPHX2 2118/4885

“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.