SCHEMBL6307047

SCHEMBL6307047

COC(=O)c1cc2c(OC(C)=O)cccc2n1Cc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CCR2 P41597 2/20 0.48
MAPT P10636 7/20 0.46
TP53 P04637 2/20 0.46
F10 P00742 4/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 2/20 0.43
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
S1PR3 Q99500 2/20 0.41

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
SCHEMBL6308930 0.88 MAPT (0.55) HPGDSMN1; SMN2L3MBTL1CCR2MAPT
SCHEMBL6308907 0.86 MAPT (0.59) HPGDSMN1; SMN2L3MBTL1CCR2MAPT
SCHEMBL7234016 0.86 MAPT (0.55) HPGDSMN1; SMN2L3MBTL1CCR2MAPT
SCHEMBL6596771 0.86 CCR2 (0.47) HPGDSMN1; SMN2L3MBTL1CCR2MAPT
SCHEMBL6300567 0.85 CCR2 (0.67) HPGDSMN1; SMN2L3MBTL1CCR2MAPT
SCHEMBL6598529 0.85 F10 (0.52) SMN1; SMN2CCR2MAPTTP53F10
SCHEMBL6357264 0.76 CCR2 (0.65) CCR2MAPTKMT2A
SCHEMBL6775247 0.75 CCR2 (0.65) SMN1; SMN2CCR2MAPTTP53F10
SCHEMBL6596097 0.74 CCR2 (0.55) CCR2
SCHEMBL6595233 0.74 MAPT (0.53) L3MBTL1CCR2MAPTTP53LMNA

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-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 US disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 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-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 HPGD 1094/4885SMN1; SMN2 3610/4885L3MBTL1 1872/4885

“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.