SCHEMBL6419451

SCHEMBL6419451

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SSTR4 P31391 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL2048346 0.88 ALDH1A1 (0.45) ALDH1A1HSD17B10MTNR1AMTNR1BHPGD
SCHEMBL19795467 0.83 SSTR4 (0.40) ALDH1A1MTNR1AMTNR1BHPGDHDAC1
SCHEMBL6418683 0.82 SSTR4 (0.39) ALDH1A1HSD17B10MTNR1AMTNR1BHPGD
SCHEMBL19795464 0.82 SSTR4 (0.37) MTNR1AMTNR1BSSTR4
SCHEMBL12715855 0.82 GRM2 (0.43) MTNR1AMTNR1BHDAC1SSTR4CPB2
SCHEMBL1196792 0.82 NOS3 (0.39) MTNR1AMTNR1BSSTR4CPB2
SCHEMBL4719084 0.81 SSTR4 (0.46) ALDH1A1HSD17B10MTNR1AMTNR1BHPGD
SCHEMBL6419488 0.79 KDM4E (0.48) ALDH1A1HPGDHDAC1L3MBTL1MAPT
SCHEMBL25448644 0.78 HTT (0.49) ALDH1A1L3MBTL1
SCHEMBL6418675 0.78 CETP (0.49) HDAC1

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 15 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
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
WO-1999015170-A1 VITRONECTIN RECEPTOR ANTAGONIST 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 (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 3235/4885MTNR1A 220/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885MTNR1A 220/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885MTNR1A 220/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885HSD17B10 4058/4885MTNR1A 124/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885MTNR1A 220/4885
US-20020123487-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885MTNR1A 220/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885MTNR1A 220/4885
US-20020019387-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885HSD17B10 3235/4885MTNR1A 220/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ALDH1A1 2599/4885HSD17B10 3685/4885MTNR1A 603/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885HSD17B10 4058/4885MTNR1A 124/4885

“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.