SCHEMBL853407

SCHEMBL853407

COC(=O)C(Cc1ccccc1)Cc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.67
PLA2G2A P14555 6/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
HSP90AA1 P07900 1/20 0.67
HSP90AB1 P08238 1/20 0.67
TRPM8 Q7Z2W7 3/20 0.61
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HTR1D P28221 3/20 0.56
POLB P06746 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.54
SLC6A4 P31645 1/20 0.54
MMP2 P08253 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
ADAM17 P78536 1/20 0.54

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
SCHEMBL853673 0.91 LTA4H (0.64) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL853305 0.88 LTA4H (0.69) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL5632081 0.87 NPSR1 (0.55) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL11685799 0.85 MEN1 (0.68) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL12039380 0.83 LTA4H (0.76) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL30176255 0.81 LTA4H (0.64) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL853597 0.81 LTA4H (0.64) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL19243092 0.81 LTA4H (0.69) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL2031238 0.81 LTA4H (1.00) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL2031240 0.81 LTA4H (1.00) LTA4HPLA2G2AMEN1KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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 (4 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV LTA4H 1053/4885PLA2G2A 3166/4885MEN1 2273/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 LTA4H 1576/4885PLA2G2A 3470/4885MEN1 1493/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 LTA4H 1468/4885PLA2G2A 3371/4885MEN1 2009/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 LTA4H 1604/4885PLA2G2A 3396/4885MEN1 1513/4885

“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.