SCHEMBL6178236

SCHEMBL6178236

CC(C)(C)OC(=O)N(CCCO)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
SSTR4 P31391 1/20 0.32
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1H2 P55055 1/20 0.31
F2 P00734 1/20 0.31
CA14 Q9ULX7 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6180961 0.84 L3MBTL1 (0.34) L3MBTL1F2CA14
SCHEMBL6965307 0.83 L3MBTL1 (0.32) L3MBTL1SLC2A1KDM4ETDP1
SCHEMBL6177046 0.81 L3MBTL1 (0.32) L3MBTL1F2
SCHEMBL6094085 0.79 CCR6 (0.43) L3MBTL1TDP1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5805153 0.77 SMN1; SMN2 (0.49) L3MBTL1F2KMT2AMEN1CYP3A4
SCHEMBL6174342 0.74 ITGB3 (0.45) L3MBTL1KDM4EALDH1A1
SCHEMBL2798824 0.73 SMN1; SMN2 (0.47) L3MBTL1F2KMT2AMEN1CYP3A4
SCHEMBL31499054 0.73 BCL2A1 (0.38) L3MBTL1SSTR4KMT2AMEN1ALDH1A1
SCHEMBL20025128 0.72 POLB (0.47) SSTR4F2KMT2AMEN1SMN1; SMN2
SCHEMBL1241389 0.69 LSS (0.40) SSTR4KDM4EF2CA14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
US-20020123487-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-05 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
US-20020019387-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-02-14 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
EP-1023073-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1999015178-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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 (6 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 L3MBTL1 4279/4885SSTR4 998/4885SLC2A1 3673/4885
US-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL L3MBTL1 4796/4885SSTR4 739/4885SLC2A1 2436/4885
US-20020123487-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL L3MBTL1 4746/4885SSTR4 671/4885SLC2A1 2433/4885
US-20020019387-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL L3MBTL1 4746/4885SSTR4 671/4885SLC2A1 2433/4885
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR L3MBTL1 4658/4885SSTR4 864/4885SLC2A1 2723/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 L3MBTL1 4279/4885SSTR4 998/4885SLC2A1 3673/4885

“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.