SCHEMBL12160082

SCHEMBL12160082

CCO[Si](CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)(OCC)OCC

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.68
▸ CA2 P00918 13/20 0.68
▸ CA9 Q16790 13/20 0.68
▸ CA12 O43570 7/20 0.68
▸ CA14 Q9ULX7 3/20 0.65
▸ CA7 P43166 1/20 0.65
▸ FKBP1A P62942 2/20 0.60
▸ HTR3A P46098 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ ADORA2A P29274 2/20 0.56

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
SCHEMBL19426705 0.90 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL13219607 0.89 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL13815114 0.88 CA1 (0.71) CA1CA2CA9CA12CA14
SCHEMBL12185092 0.88 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL1638181 0.88 CA1 (0.75) CA1CA2CA9CA12CA14
SCHEMBL18387321 0.87 CA9 (0.66) CA1CA2CA9CA12CA14
SCHEMBL22203877 0.87 CA1 (0.66) CA1CA2CA9CA12CA14
SCHEMBL14164948 0.86 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL21183301 0.86 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL21282083 0.86 CA1 (0.70) CA1CA2CA9CA12CA14

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-20170191935-A1 FLUORESCENT NANOSENSORS AND USES THEREOF UNIVERSITé LAVAL (CA) 2017-07-06 — — US disclosed
US-20140301951-A1 POROUS NANOPARTICLE SUPPORTED LIPID NANOSTRUCTURES SANDIA CORPORATION 2014-10-09 — — US disclosed
US-8734816-B2 Porous nanoparticle supported lipid bilayer nanostructures STC.UNM (US) 2014-05-27 — — US disclosed
US-20110268791-A1 POROUS NANOPARTICLE SUPPORTED LIPID BILAYER NANOSTRUCTURES THE UNITED STATES OF AMERICA 2011-11-03 — — 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-20110268791-A1 POROUS NANOPARTICLE SUPPORTED LIPID BILAYER NANOSTRUCTURES EPCAM, NPC1L1, CD47 CA1 286/4885CA2 942/4885CA9 362/4885
US-20140301951-A1 POROUS NANOPARTICLE SUPPORTED LIPID NANOSTRUCTURES EPCAM, LIPA, NPC1L1 CA1 224/4885CA2 986/4885CA9 312/4885

“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.

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