SCHEMBL6422006

SCHEMBL6422006

COC(=O)/C(=C/c1ccc(OC)cc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
LY96 Q9Y6Y9 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL6422010 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL7373232 0.83 TSHR (0.39) ALDH1A1HSD17B10HDAC8MAPTMTNR1A
SCHEMBL7373236 0.83 TSHR (0.39) ALDH1A1HSD17B10HDAC8MAPTMTNR1A
SCHEMBL4639106 0.79 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL4639101 0.79 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL7795152 0.77 KDM4E (0.34) ALDH1A1KDM4ENPC1RAB9AHDAC8
SCHEMBL6419451 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10NPC1RAB9APOLB
SCHEMBL6423170 0.72 ALDH1A1 (0.37) ALDH1A1HSD17B10POLB
SCHEMBL25448644 0.68 HTT (0.49) ALDH1A1L3MBTL1
SCHEMBL7617840 0.68 GSK3B (0.50) ALDH1A1KDM4ENPC1RAB9AHDAC8

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 18 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
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
EP-1017387-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2004-08-18 EP disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030216377-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-11-20 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-20030087894-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
US-20020128257-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-20020123487-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-05 US disclosed
US-20020040136-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-04-04 US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-20020019387-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-02-14 US disclosed
US-20010014737-A1 Vitronectin receptor antagonist HEERDING DIRK (US) 2001-08-16 US disclosed
EP-1017387-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999015170-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 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 (10 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-20020040136-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885HSD17B10 4058/4885KDM4E 4545/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20020123487-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20020019387-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885KDM4E 4754/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ALDH1A1 2599/4885HSD17B10 3685/4885KDM4E 4199/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885HSD17B10 4058/4885KDM4E 4545/4885

“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.