SCHEMBL20111931

SCHEMBL20111931

CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.54
OPRL1 P41146 3/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
AXL P30530 3/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL21714519 0.95 HSD11B1 (0.55) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL21714083 0.93 HSD11B1 (0.51) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL21714117 0.93 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL21714188 0.93 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL21714459 0.92 HSD11B1 (0.50) HSD11B1OPRL1OPRM1OPRK1JAK2
SCHEMBL21714579 0.91 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714581 0.90 HSD11B1 (0.50) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714156 0.89 HSD11B1 (0.51) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714175 0.89 HSD11B1 (0.52) HSD11B1OPRL1OPRM1OPRK1AXL
SCHEMBL21714191 0.88 HSD11B1 (0.52) HSD11B1OPRL1OPRM1OPRK1AXL

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 7 patents. 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 claimed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US claimed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US disclosed
WO-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO 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 (2 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 1272/4885OPRL1 3722/4885OPRM1 2285/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HSD11B1 1185/4885OPRL1 3657/4885OPRM1 2365/4885

“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.