SCHEMBL20087392

SCHEMBL20087392

CCCN(CC(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 4/20 0.53
CA14 Q9ULX7 4/20 0.53
CA7 P43166 1/20 0.53
CA2 P00918 4/20 0.35
NR1D1 P20393 2/20 0.34
PER2 O15055 2/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA9 Q16790 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
UGT1A7 Q9HAW7 1/20 0.32
SLC22A11 Q9NSA0 1/20 0.32
CTSK P43235 1/20 0.31
ABCC9 O60706 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
SCHEMBL20087387 0.86 CA12 (0.53) CA12CA1CA14CA7CA2
SCHEMBL20136933 0.85 CA12 (0.37) CA12CA1CA14CA7CA2
SCHEMBL22345342 0.82 CA12 (0.36) CA12CA1CA14CA7NR1D1
SCHEMBL16558052 0.76 MAPK1 (0.51) CA12CA1CA14CA7CA2
SCHEMBL6700697 0.76 CA12 (0.43) CA12CA1CA14CA7CA2
SCHEMBL20087394 0.75 AKT1 (0.36) CA12CA1CA14CA7NR1D1
SCHEMBL16558057 0.75 NR1D1 (0.58) CA12CA1CA14CA7CA2
SCHEMBL16558055 0.74 RORC (0.47) CA12CA1CA14CA7CA9
SCHEMBL13145857 0.74 CA12 (0.42) CA12CA1CA14CA7CA2
SCHEMBL19199788 0.74 MEN1 (0.36) CA12CA1CA14CA7CA2

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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CHO Pharma Inc. (TW) 2018-05-17 US disclosed
US-20180110876-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2018-04-26 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 (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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CSGALNACT1, ST6GAL1, PA2G4 CA12 97/4885CA1 469/4885CA14 216/4885
US-20180110876-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF CD44, HACD3, HACD2 CA12 905/4885CA1 1649/4885CA14 745/4885

“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.