SCHEMBL23153231

SCHEMBL23153231

C[C@H]1CC(c2c[nH]c3ncccc23)CCN1S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CCR2 P41597 2/20 0.40
AXL P30530 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 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
SCHEMBL21714364 1.00 HSD11B1 (0.51) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL21714313 1.00 HSD11B1 (0.51) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL20111931 0.88 HSD11B1 (0.54) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL20111934 0.84 HSD11B1 (0.53) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL21714519 0.83 HSD11B1 (0.55) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL12509445 0.83 HSD11B1 (0.69) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL2267177 0.82 HSD11B1 (0.63) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL21714083 0.82 HSD11B1 (0.51) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL21714117 0.81 HSD11B1 (0.54) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL20792300 0.81 HSD11B1 (0.49) HSD11B1JAK2JAK1TYK2JAK3

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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO HSD11B1 1272/4885JAK2 143/4885JAK1 119/4885

“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.