SCHEMBL2048346

SCHEMBL2048346

COc1ccc(Br)c(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HPGD P15428 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.36
PDK2 Q15119 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6419451 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10MTNR1AMTNR1BHPGD
SCHEMBL18719607 0.85 POLB (0.43) MEN1KMT2AMTNR1AMTNR1BHTR2C
SCHEMBL11484971 0.84 HSD17B10 (0.52) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL15624358 0.84 KMT2A (0.55) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL23105683 0.82 RIPK1 (0.49) MTNR1AMTNR1BHTR2CSLC6A4CACNA1G
SCHEMBL8164937 0.82 HTR2C (0.38) MTNR1AMTNR1BHTR2CSLC6A4PDK2
SCHEMBL15747297 0.82 HTR2C (0.43) ALDH1A1HTR2CSLC6A4SMN1; SMN2CACNA1G
SCHEMBL15261600 0.81 HTR2C (0.43) MEN1KMT2AHSD17B10HTR2CSLC6A4
SCHEMBL6418683 0.81 SSTR4 (0.39) ALDH1A1MEN1KMT2AHSD17B10MTNR1A
SCHEMBL4719084 0.80 SSTR4 (0.46) ALDH1A1HSD17B10MTNR1AMTNR1BHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2329821-B1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GLAXOSMITHKLINE LLC (US) 2012-08-22 EP disclosed
CN-101370505-B Treatment of ocular neovascular disorders such as macular degeneration, angioid streaks, uveitis and macular edema SMITHKLINE BEECHAM CORP 2012-03-21 CN disclosed
EP-2329821-A1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GlaxoSmithKline LLC (US) 2011-06-08 EP disclosed
EP-1968594-B1 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA GLAXOSMITHKLINE LLC (US) 2010-09-29 EP disclosed
CN-101370505-A Treatment of ocular neovascular disorders such as macular degeneration, angioid streaks, uveitis and macular edema SMITHKLINE BEECHAM CORP (US) 2009-02-18 CN disclosed
US-20080293691-A1 Treatment Method SMITHKLINE BEECHAM CORPORATION 2008-11-27 US disclosed
EP-1968594-A2 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007064752-A2 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO disclosed
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 CN disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (3 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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ALDH1A1 2599/4885MEN1 2235/4885KMT2A 4771/4885
US-20080293691-A1 Treatment Method ALDH1A2, KDR, VEGFA ALDH1A1 166/4885MEN1 4085/4885KMT2A 1737/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885MEN1 1246/4885KMT2A 4278/4885

“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.