SCHEMBL12137170

SCHEMBL12137170

COC(=O)[C@H](/N=I/C)C(C)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7955435 0.77 CA12 (0.32) CA12CA14SMN1; SMN2
SCHEMBL13040988 0.71 SMN1; SMN2 (0.38) CA12CA14SMN1; SMN2
SCHEMBL19871016 0.71 SMN1; SMN2 (0.38) CA12CA14SMN1; SMN2
SCHEMBL3507280 0.68 SMN1; SMN2 (0.35) CA12CA14SMN1; SMN2
SCHEMBL3614148 0.68 SMN1; SMN2 (0.35) CA12CA14SMN1; SMN2
SCHEMBL3507282 0.68 SMN1; SMN2 (0.35) CA12CA14SMN1; SMN2
Hydrochloric Acid SCHEMBL22321971 0.67 SMN1; SMN2 (0.34) CA12CA14SMN1; SMN2
Hydrochloric Acid SCHEMBL3504997 0.67 SMN1; SMN2 (0.34) CA12CA14SMN1; SMN2
Hydrochloric Acid SCHEMBL5422419 0.67 SMN1; SMN2 (0.34) CA12CA14SMN1; SMN2
Hydrochloric Acid SCHEMBL3505000 0.67 SMN1; SMN2 (0.34) CA12CA14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067449-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-11-29 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CA12 1390/4885CA14 1458/4885SMN1; SMN2 468/4885

“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.