SCHEMBL17497873

SCHEMBL17497873

CN1C[C@@H](c2ccccc2)OC(=O)CCC=CC[C@@H](CC(=O)NCc2ccc(Cl)nc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SHH Q15465 7/20 0.58

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
SCHEMBL17497868 1.00 SHH (0.58) SHH
SCHEMBL2193114 0.90 SHH (0.71) SHH
SCHEMBL12508152 0.90 SHH (0.71) SHH
SCHEMBL12418081 0.90 SHH (0.71) SHH
SCHEMBL2193119 0.90 SHH (0.71) SHH
SCHEMBL12507723 0.84 SHH (0.81) SHH
SCHEMBL12418069 0.84 SHH (0.81) SHH
SCHEMBL2192100 0.84 SHH (0.81) SHH
SCHEMBL2192095 0.84 SHH (0.81) SHH
SCHEMBL17497960 0.80 SHH (0.46) SHH

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-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 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-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO SHH 1/4885

“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.