SCHEMBL853728

SCHEMBL853728

COC(=O)Cc1cc2cc(O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.49
PDGFRB P09619 2/20 0.49
ABL1 P00519 1/20 0.49
KIT P10721 1/20 0.49
BCR P11274 1/20 0.49
SMAD3 P84022 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
BACE1 P56817 1/20 0.45
MTNR1A P48039 2/20 0.45
NLRP3 Q96P20 1/20 0.45
MTNR1B P49286 1/20 0.45
HSP90AB1 P08238 1/20 0.44
PDGFRA P16234 1/20 0.43
SRC P12931 1/20 0.42
CA2 P00918 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 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
SCHEMBL852679 0.85 BACE1 (0.49) FLT3PDGFRBABL1KITBCR
SCHEMBL30409225 0.84 FLT3 (0.45) FLT3PDGFRBABL1KITBCR
SCHEMBL31472119 0.84 FLT3 (0.50) FLT3SMN1; SMN2SIRT1MTNR1AMTNR1B
SCHEMBL9679411 0.84 MTNR1A (0.64) FLT3PDGFRBMTNR1AMTNR1BPDGFRA
SCHEMBL8686875 0.81 MTNR1A (0.56) FLT3SMN1; SMN2MTNR1ANLRP3MTNR1B
SCHEMBL30620163 0.81 SMAD3 (0.57) FLT3PDGFRBABL1KITBCR
SCHEMBL115205 0.81 SMAD3 (0.57) FLT3PDGFRBABL1KITBCR
SCHEMBL7367608 0.80 NR3C1 (0.44) SMN1; SMN2SIRT1MTNR1AMTNR1B
Acetic Acid SCHEMBL28006441 0.80 SMAD3 (0.53) FLT3PDGFRBABL1KITBCR
SCHEMBL31026282 0.80 SIRT1 (0.69) FLT3PDGFRBABL1KITBCR

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 FLT3 2148/4885PDGFRB 300/4885ABL1 3079/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 FLT3 2056/4885PDGFRB 213/4885ABL1 2906/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 FLT3 2800/4885PDGFRB 244/4885ABL1 2929/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 FLT3 2004/4885PDGFRB 190/4885ABL1 2890/4885

“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.