SCHEMBL6423170

SCHEMBL6423170

COC(=O)C(CC(=O)O)Cc1ccc(OC)cc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
KEAP1 Q14145 3/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
NFE2L2 Q16236 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL2803839 0.91 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL6418597 0.86 EPHX2 (0.35) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL6898652 0.84 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL6898655 0.84 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL2053129 0.82 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9MMP1KMT2A
SCHEMBL27750685 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10POLBKMT2A
SCHEMBL7795166 0.80 EPHX2 (0.38) ALDH1A1CYP1A2CYP2C9POLBKMT2A
SCHEMBL6420476 0.79 HSD17B10 (0.43) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL2784963 0.78 MMP1 (0.42) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL4638135 0.78 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2C9HSD17B10KEAP1

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 20 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-1023073-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP 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-1999015178-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO 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 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885CYP1A2 2551/4885CYP2C9 3226/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20020123487-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20020019387-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ALDH1A1 3234/4885CYP1A2 3567/4885CYP2C9 3317/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ALDH1A1 2599/4885CYP1A2 4457/4885CYP2C9 4808/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885CYP1A2 2551/4885CYP2C9 3226/4885

“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.