SCHEMBL12295990

SCHEMBL12295990

CC(=O)[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.34
NR1H3 Q13133 8/20 0.34
PTPN1 P18031 2/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
STS P08842 1/20 0.32
RORC P51449 1/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL14857161 0.91 NR1H2 (0.34) NR1H2NR1H3PTPN1HSD11B1MEN1
SCHEMBL15388623 0.91 NR1H2 (0.34) NR1H2NR1H3PTPN1HSD11B1MEN1
SCHEMBL1662641 0.88 PTPN1 (0.41) NR1H2NR1H3PTPN1HSD11B1MEN1
SCHEMBL1662643 0.88 PTPN1 (0.41) NR1H2NR1H3PTPN1HSD11B1MEN1
SCHEMBL3557230 0.88 PTPN1 (0.41) NR1H2NR1H3PTPN1HSD11B1MEN1
SCHEMBL12248021 0.85 NR1H2 (0.35) NR1H2NR1H3PTPN1HSD11B1MEN1
SCHEMBL30305041 0.82 NAMPT (0.41) NR1H2NR1H3RORC
SCHEMBL4032654 0.82 NR1H2 (0.42) NR1H2NR1H3STSRORC
SCHEMBL4032657 0.82 NR1H2 (0.42) NR1H2NR1H3STSRORC
SCHEMBL29280765 0.80 PTPN1 (0.34) NR1H2NR1H3PTPN1HSD11B1STS

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-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS NR1H2 297/4885NR1H3 260/4885PTPN1 998/4885

“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.