SCHEMBL15744664

SCHEMBL15744664

CCOC(=O)COc1cc(CCNC(=O)OC(C)(C)C)ccc1N(CC(=O)OCC)CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.39
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGER4 P35408 1/20 0.38
MAPK1 P28482 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL18537293 0.85 KMT2A (0.40) ADRB3KMT2A
SCHEMBL15744671 0.81 BCHE (0.38) ADRB3MAPK1
SCHEMBL15744663 0.81 SYK (0.36) ADRB3MAPK1
SCHEMBL15744672 0.80 PPARA (0.40) ADRB3GLAMAPK1
SCHEMBL8835699 0.79 GLA (0.55) KMT2AGLACA1CA2NAMPT
SCHEMBL15744891 0.78 MAPK1 (0.36) ADRB3MAPK1
SCHEMBL2843187 0.75 KMT2A (0.57) KMT2A
SCHEMBL4495406 0.74 CYP4F2 (0.56) KMT2AGLACA1CA2PTGER4
SCHEMBL6676358 0.72 CA2 (0.44) KMT2AGLACA1CA2
SCHEMBL14987242 0.72 NQO2 (0.46) KMT2AGLACA1CA2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2926121-B1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION OPTI MEDICAL SYSTEMS INC (US) 2017-02-22 EP disclosed
US-9360474-B2 Multi-layer device for selectively determining magnesium ion OPTI MEDICAL SYSTEMS, INC. (US) 2016-06-07 US disclosed
US-9360474-B2 Multi-layer device for selectively determining magnesium ion OPTI MEDICAL SYSTEMS, INC. (US) 2016-06-07 US disclosed
US-20140147876-A1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION IDEXX LABORATORIES, INC. (US) 2014-05-29 US disclosed
US-20140147876-A1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION IDEXX LABORATORIES, INC. (US) 2014-05-29 US 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 (1 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-20140147876-A1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION ORAI1, CACYBP, CASR ADRB3 4078/4885KMT2A 3348/4885GLA 1461/4885

“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.