SCHEMBL13593374

SCHEMBL13593374

CCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.51
▸ NEU1 Q99519 10/20 0.33
▸ NEU2 Q9Y3R4 6/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ XDH P47989 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
Krn5500 SCHEMBL31060330 0.86 PAX8 (0.42) PAX8
Krn5500 SCHEMBL17314988 0.86 PAX8 (0.42) PAX8
Krn5500 SCHEMBL2357505 0.86 PAX8 (0.42) PAX8
Krn5500 SCHEMBL29395534 0.86 PAX8 (0.42) PAX8
SCHEMBL17091588 0.86 PAX8 (0.42) PAX8
SCHEMBL11647749 0.84 PAX8 (0.65) PAX8XDH
SCHEMBL11649574 0.84 PAX8 (0.65) PAX8XDH
SCHEMBL11651183 0.84 PAX8 (0.65) PAX8XDH
SCHEMBL11651719 0.84 PAX8 (0.65) PAX8XDH
SCHEMBL29351487 0.80 PAX8 (0.80) PAX8

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-7632825-B2 Methods of decreasing or preventing pain using spicamycin derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-12-15 — — US disclosed
US-20080207557-A1 Methods of Decreasing or Preventing Pain Using Spicamycin Derivatives MIDATECH PHARMA PLC (GB) 2008-08-28 — — US disclosed
US-7375094-B2 Methods for decreasing or preventing pain using spicamycin derivatives THE GENERAL HOSPITAL CORPORATION (US) 2008-05-20 — — US disclosed
US-20070161597-A1 Methods for Decreasing or Preventing Pain Using Spicamycin Derivatives MIDATECH PHARMA PLC (GB) 2007-07-12 — — US disclosed
US-7196071-B2 Methods of decreasing or preventing pain using spicamycin derivatives THE GENERAL HOSPITAL CORPORATION (US) 2007-03-27 — — 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-20070161597-A1 Methods for Decreasing or Preventing Pain Using Spicamycin Derivatives NPSR1, SPAST, NISCH PAX8 1715/4885NEU1 423/4885NEU2 247/4885
US-20080207557-A1 Methods of Decreasing or Preventing Pain Using Spicamycin Derivatives NPSR1, SPAST, OPRL1 PAX8 1745/4885NEU1 394/4885NEU2 227/4885

“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.

Send feedback