SCHEMBL6838875

SCHEMBL6838875

CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
BTK Q06187 1/20 0.34
GAA P10253 1/20 0.33
CACNA1H O95180 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CTSK P43235 3/20 0.32
CTSS P25774 1/20 0.32
NR1H2 P55055 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL6237174 1.00 MEN1 (0.39) MEN1KMT2AMAPK1TDP1BTK
SCHEMBL6838872 1.00 MEN1 (0.39) MEN1KMT2AMAPK1TDP1BTK
SCHEMBL28564855 0.89 KMT2A (0.40) MEN1KMT2AMAPK1TDP1BTK
SCHEMBL1433516 0.88 KMT2A (0.38) MEN1KMT2AMAPK1TDP1BTK
SCHEMBL28747500 0.88 KMT2A (0.38) MEN1KMT2AMAPK1TDP1BTK
SCHEMBL1636182 0.88 KMT2A (0.39) MEN1KMT2AMAPK1BTKGAA
SCHEMBL2511482 0.88 KMT2A (0.39) MEN1KMT2AMAPK1BTKGAA
SCHEMBL12891851 0.88 KMT2A (0.39) MEN1KMT2AMAPK1BTKGAA
SCHEMBL1687973 0.88 KMT2A (0.39) MEN1KMT2AMAPK1BTKGAA
SCHEMBL28747568 0.84 MEN1 (0.37) MEN1KMT2AMAPK1TDP1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 MEN1 2631/4885KMT2A 3622/4885MAPK1 969/4885

“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.