SCHEMBL23153236

SCHEMBL23153236

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.56
OPRL1 P41146 4/20 0.51
OPRM1 P35372 4/20 0.51
OPRK1 P41145 3/20 0.51
CCR2 P41597 5/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL21714144 0.90 HSD11B1 (0.52) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714579 0.89 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714479 0.89 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714473 0.88 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714584 0.88 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714614 0.88 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714277 0.88 HSD11B1 (0.59) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714477 0.88 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL21714306 0.88 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL20112192 0.88 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1CCR2

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 1272/4885OPRL1 3722/4885OPRM1 2285/4885

“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.