SCHEMBL2267506

SCHEMBL2267506

CCC(C(=O)OC(CN)P(=O)(O)O)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MGLL Q99685 9/20 0.40
FAAH O00519 3/20 0.34
DDAH1 O94760 1/20 0.34
PKM P14618 2/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CCR6 P51684 1/20 0.32
ATM Q13315 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL2348816 0.75 MGLL (0.53) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL3414901 0.73 MGLL (0.54) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL2125273 0.71 ALDH1A1 (0.46) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL7633213 0.65 MGLL (0.63) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL8372896 0.64 ALDH1A1 (0.38) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL19134296 0.64 MGLL (0.67) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL13749940 0.63 MGLL (0.56) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL10780780 0.62 MGLL (0.65) HSP90AA1TDP1HTTNPSR1ALDH1A1
SCHEMBL11638756 0.62 KMT2A (0.54) ALDH1A1HPGDMEN1KMT2AHTR1A
SCHEMBL28308627 0.62 MGLL (0.59) HSP90AA1TDP1HTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003078-B2 Targeted MR imaging agents BARNES-JEWISH HOSPITAL (US) 2011-08-23 US disclosed
US-20080247943-A1 Blood Clot-Targeted Nanoparticles KEREOS, INC. 2008-10-09 US disclosed
EP-1539252-A4 BLOOD CLOT-TARGETED NANOPARTICLES BARNES JEWISH HOSPITAL (US) 2008-03-12 EP disclosed
WO-2007115115-A2 TARGETED MR IMAGING AGENTS KEREOS, INC. (US) 2007-10-11 WO disclosed
US-20070237721-A1 TARGETED MR IMAGING AGENTS KEREOS, INC. 2007-10-11 US disclosed
US-20070202040-A1 Blood clot-targeted nanoparticles BARNES-JEWISH HOSPITAL (US) 2007-08-30 US disclosed
EP-1539252-A2 BLOOD CLOT-TARGETED NANOPARTICLES Barnes-Jewish Hospital (US) 2005-06-15 EP disclosed
WO-2004017907-A2 BLOOD CLOT-TARGETED NANOPARTICLES BARNES-JEWISH HOSPITAL (US) 2004-03-04 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 (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-20080247943-A1 Blood Clot-Targeted Nanoparticles FGB, PLAT, PLG HSP90AA1 1089/4885TDP1 626/4885HTT 665/4885
US-20070237721-A1 TARGETED MR IMAGING AGENTS TSPO, ARNT, RXFP4 HSP90AA1 1548/4885TDP1 4051/4885HTT 780/4885

“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.