SCHEMBL3962686

SCHEMBL3962686

C=CC(F)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
BRD4 O60885 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR2 O43614 1/20 0.30

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
SCHEMBL30817817 0.86 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL9744742 0.86 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL12276301 0.86 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30669043 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL18878400 0.81 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL12396343 0.81 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15925967 0.81 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL28647914 0.80 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL28647916 0.80 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL28663219 0.80 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572928-B2 Fluorination process ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
US-7572928-B2 Fluorination process ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 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-20070142632-A1 Fluorination process CYP2F1, SF3A2, SF3B2 SPHK1 1044/4885BRD4 4614/4885CHRM2 2223/4885

“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.