SCHEMBL19636757

SCHEMBL19636757

COC(=O)CC(C)(C)NCCNC(C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 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
SCHEMBL7109527 0.76 TSHR (0.40) CA12CA14TSHR
SCHEMBL19636725 0.76 SLC22A6 (0.39)
SCHEMBL20593368 0.75 TSHR (0.45) CA12CA7CA9CA14TSHR
SCHEMBL20593365 0.75 TSHR (0.45) CA12CA7CA9CA14TSHR
SCHEMBL28902220 0.73 TSHR (0.40) TSHR
SCHEMBL17495621 0.72 MEN1 (0.51) CA12CA7CA9
SCHEMBL15621164 0.70 TET2 (0.45) CA12CA14TSHR
SCHEMBL6050259 0.69 CYP2C19 (0.43) TSHR
SCHEMBL17495611 0.68 MEN1 (0.46) CA12CA7CA9CA14
SCHEMBL11136905 0.67 SIGMAR1 (0.42)

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-10434200-B2 Compositions and associated methods for radioisotope-binding microparticles BIOSPHERE MEDICAL, INC. (US) 2019-10-08 US disclosed
US-20170333579-A1 COMPOSITIONS AND ASSOCIATED METHODS FOR RADIOISOTOPE-BINDING MICROPARTICLES WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2017-11-23 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-20170333579-A1 COMPOSITIONS AND ASSOCIATED METHODS FOR RADIOISOTOPE-BINDING MICROPARTICLES CD47, CD68, MPI CA12 704/4885CA7 1706/4885CA9 731/4885
US-10434200-B2 Compositions and associated methods for radioisotope-binding microparticles CD47, CD68, MPI CA12 704/4885CA7 1706/4885CA9 731/4885

“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.