SCHEMBL17497679

SCHEMBL17497679

O=C1CCC=CC[C@@H](CC(=O)N2CCCCC2)C(=O)NC[C@@H](c2ccccc2)O1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHH Q15465 7/20 0.61
USP2 O75604 2/20 0.43
AGTR1 P30556 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL17497675 1.00 SHH (0.61) SHHUSP2AGTR1L3MBTL1ALDH1A1
SCHEMBL17497510 0.92 SHH (0.60) SHHUSP2AGTR1L3MBTL1
SCHEMBL17497507 0.92 SHH (0.60) SHHUSP2AGTR1L3MBTL1
SCHEMBL17515417 0.91 SHH (0.59) SHHUSP2AGTR1L3MBTL1
SCHEMBL17497985 0.90 SHH (0.58) SHHUSP2AGTR1
SCHEMBL17497987 0.90 SHH (0.58) SHHUSP2AGTR1
SCHEMBL17515418 0.88 SHH (0.56) SHHUSP2AGTR1
SCHEMBL2188428 0.86 SHH (0.69) SHHUSP2AGTR1L3MBTL1
SCHEMBL2188419 0.86 SHH (0.69) SHHUSP2AGTR1L3MBTL1
SCHEMBL17497774 0.82 SHH (0.70) SHHUSP2AGTR1L3MBTL1

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 1/4885USP2 234/4885AGTR1 4594/4885

“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.