SCHEMBL4294205

SCHEMBL4294205

NC(=O)c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
MGLL Q99685 2/20 0.50
CYP2C9 P11712 1/20 0.48
SCN9A Q15858 1/20 0.48
SPR P35270 2/20 0.46
SCD O00767 1/20 0.45
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
CACNA1B Q00975 2/20 0.44
UBE2M P61081 4/20 0.42
DCUN1D1 Q96GG9 4/20 0.42
KDM5A P29375 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28768418 0.91 HSD11B1 (0.53) HSD11B1MGLLHCRTR1HCRTR2CACNA1B
SCHEMBL3049583 0.84 HSD11B1 (0.52) HSD11B1MGLLHCRTR1HCRTR2CACNA1B
SCHEMBL2187636 0.84 HSD11B1 (0.45) HSD11B1MGLLCYP2C9SCN9ASPR
SCHEMBL2187198 0.82 HSD11B1 (0.44) HSD11B1MGLLHCRTR1HCRTR2CACNA1B
SCHEMBL2187368 0.82 MGLL (0.43) HSD11B1MGLLSPRHCRTR1HCRTR2
SCHEMBL2188775 0.82 MGLL (0.53) HSD11B1MGLLSCN9AHCRTR1HCRTR2
SCHEMBL2188215 0.82 HCRTR1 (0.45) HSD11B1MGLLCYP2C9HCRTR1HCRTR2
SCHEMBL2186848 0.82 TSHR (0.52) HSD11B1MGLLHCRTR1HCRTR2CACNA1B
SCHEMBL2187340 0.81 LMNA (0.57) HSD11B1CYP2C9CACNA1BLMNAPOLB
SCHEMBL2188543 0.81 ALDH1A1 (0.52) HSD11B1MGLLHCRTR1HCRTR2CACNA1B

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-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 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-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB HSD11B1 699/4885MGLL 4659/4885CYP2C9 4002/4885

“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.