SCHEMBL5809590

SCHEMBL5809590

CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)C2(CCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.37
USP30 Q70CQ3 1/20 0.35
NR1H2 P55055 1/20 0.34
STS P08842 2/20 0.33
HTR6 P50406 1/20 0.33
PDK4 Q16654 1/20 0.33
MAPT P10636 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
TACR1 P25103 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
SCHEMBL2256948 0.85 NR1H2 (0.40) RORCNR1H2STSHTR6PDK4
SCHEMBL23538445 0.85 RORC (0.37) RORCNR1H2STSHTR6PDK4
SCHEMBL19168628 0.81 RORC (0.38) RORCNR1H2STSHTR6PDK4
SCHEMBL16422844 0.81 STS (0.35) RORCNR1H2STSHTR6PDK4
SCHEMBL29450192 0.78 RORC (0.35) RORCNR1H2STSHTR6PDK4
SCHEMBL19176058 0.78 RORC (0.35) RORCNR1H2STSHTR6PDK4
SCHEMBL23584522 0.78 RORC (0.40) RORCUSP30STSF13A1TGM2
SCHEMBL16434814 0.78 RORC (0.33) RORCSTSHTR6PDK4F13A1
SCHEMBL25322322 0.77 NR1H2 (0.35) RORCNR1H2STSHTR6PDK4
SCHEMBL21111699 0.76 RORC (0.34) RORCNR1H2STSHTR6PDK4

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 RORC 1081/4885USP30 1388/4885NR1H2 2228/4885

“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.