SCHEMBL15744663

SCHEMBL15744663

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
MAPK1 P28482 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.35
ADRB2 P07550 3/20 0.34
ADRB3 P13945 5/20 0.34
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB1 P08588 2/20 0.33
GAA P10253 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
SCHEMBL15744671 0.91 BCHE (0.38) SYKMAPK1BCHEACHEALDH1A1
SCHEMBL15744891 0.87 MAPK1 (0.36) SYKMAPK1BCHEACHEALDH1A1
SCHEMBL15744664 0.81 ADRB3 (0.39) MAPK1ADRB3
SCHEMBL15744665 0.77 ALDH1A1 (0.41) MAPK1BCHEACHELMNAALDH1A1
SCHEMBL15744662 0.71 TDP1 (0.60) MAPK1LMNAALDH1A1TDP1NPC1
SCHEMBL15744661 0.70 PTPN1 (0.48) LMNAALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL15745135 0.70 ALDH1A1 (0.49) MAPK1LMNAALDH1A1CYP3A4TDP1
SCHEMBL7218145 0.70 ADRB1 (0.43) SYKMAPK1LMNAALDH1A1CYP3A4
SCHEMBL1025346 0.70 CA12 (0.45) ALDH1A1CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL10882684 0.69 MAPT (0.56) MAPK1LMNAALDH1A1CYP3A4HIF1A

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 SYK 1631/4885MAPK1 2258/4885BCHE 3866/4885

“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.