SCHEMBL18788872

SCHEMBL18788872

CC(C)(C)OC(=O)[C@@H](N)Cc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.56
GRIA2 P42262 1/20 0.52
LTA4H P09960 1/20 0.44
TYR P14679 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ENPP2 Q13822 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3028647 1.00 SLC7A5 (0.56) SLC7A5GRIA2LTA4HTYRNOS3
SCHEMBL27525604 0.86 SLC7A5 (0.56) SLC7A5GRIA2LTA4HNOS3NOS1
SCHEMBL18481474 0.86 SLC7A5 (0.56) SLC7A5GRIA2LTA4HNOS3NOS1
SCHEMBL10561230 0.84 SLC7A5 (0.55) SLC7A5LTA4HNOS3NOS1NOS2
SCHEMBL30475895 0.84 SLC7A5 (0.55) SLC7A5
SCHEMBL17978075 0.84 SLC7A5 (0.55) SLC7A5LTA4HNOS3NOS1NOS2
SCHEMBL27350860 0.84 SLC7A5 (0.55) SLC7A5LTA4HNOS3NOS1NOS2
SCHEMBL10561439 0.84 SLC7A5 (0.55) SLC7A5
SCHEMBL19664048 0.84 SLC7A5 (0.55) SLC7A5
SCHEMBL10560530 0.84 SLC7A5 (0.55) SLC7A5LTA4HNOS3NOS1NOS2

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
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 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 (2 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS SLC7A5 642/4885GRIA2 4312/4885LTA4H 2343/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS SLC7A5 642/4885GRIA2 4312/4885LTA4H 2343/4885

“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.