SCHEMBL3049583

SCHEMBL3049583

O=[C]c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
MGLL Q99685 2/20 0.50
HCRTR2 O43614 6/20 0.45
HCRTR1 O43613 5/20 0.45
CACNA1B Q00975 2/20 0.44
UBE2M P61081 4/20 0.42
DCUN1D1 Q96GG9 4/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39

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 0.85 HSD11B1 (0.53) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL4294205 0.84 HSD11B1 (0.52) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL2962141 0.81 MAPK7 (0.44)
SCHEMBL2187632 0.78 HCRTR1 (0.45) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL3060003 0.77 HSD11B1 (0.53) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL2187198 0.77 HSD11B1 (0.44) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL2187636 0.77 HSD11B1 (0.45) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL2186848 0.77 TSHR (0.52) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL2188215 0.77 HCRTR1 (0.45) HSD11B1MGLLHCRTR2HCRTR1CACNA1B
SCHEMBL2188775 0.77 MGLL (0.53) HSD11B1MGLLHCRTR2HCRTR1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 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 (3 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB HSD11B1 998/4885MGLL 4732/4885HCRTR2 304/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 HSD11B1 830/4885MGLL 4577/4885HCRTR2 4474/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 HSD11B1 848/4885MGLL 4611/4885HCRTR2 4649/4885

“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.