SCHEMBL5680973

SCHEMBL5680973

CCOC(=O)c1cc2cc(OC(C)=O)ccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 3/20 0.76
HPGD P15428 3/20 0.76
RAB9A P51151 3/20 0.76
NPC1 O15118 2/20 0.76
LMNA P02545 2/20 0.76
HTT P42858 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
SMN1; SMN2 Q16637 2/20 0.68
HSD17B10 Q99714 1/20 0.68
HRH3 Q9Y5N1 1/20 0.64
MMP13 P45452 7/20 0.63
MEN1 O00255 1/20 0.63
GLA P06280 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
MMP2 P08253 5/20 0.62
PDGFRB P09619 5/20 0.62

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
SCHEMBL75327 0.86 KDM4E (1.00) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9263164 0.86 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL862913 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL384385 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL8870168 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL27969737 0.82 KDM4E (0.69) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL8868735 0.82 RAB9A (0.85) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5841102 0.82 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3031260 0.82 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL6300554 0.82 XDH (0.74) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268423-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-01 EP disclosed
US-6984657-B1 Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2006-01-10 US disclosed
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
EP-1150953-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-6613760-B1 Compounds such as N-(3,4-Dichlorobenzyl)-2-ethoxycarbonyl-indole-4-carboxylic acid, used as inhibitors of monocyte chemoattractant proteins (MCP-1) and RANTES induced chemotaxis; antiinflammatory agents ASTRAZENECA AB (SE) 2003-09-02 US disclosed
US-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1268423-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
EP-1150953-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2001051467-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed
WO-2000046197-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 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 (1 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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 KDM4E 3030/4885ALDH1A1 759/4885HPGD 805/4885

“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.