SCHEMBL6017726

SCHEMBL6017726

O=C(O)c1sc(-c2ccccc2)cc1N(C(=O)c1ccc(Cl)cc1)C1CCN(C(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.42
▸ CHRM3 P20309 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCHR1 Q99705 2/20 0.40
▸ MGLL Q99685 2/20 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
SCHEMBL2158478 0.88 MCHR1 (0.39) MCHR1
SCHEMBL2157717 0.85 MEN1 (0.43) CHRM2CHRM3MEN1KMT2A
SCHEMBL2158079 0.83 PPARA (0.35) MCHR1
SCHEMBL2158448 0.82 NPY1R (0.38) CHRM2CHRM3MEN1KMT2AMCHR1
SCHEMBL2157419 0.79 NPY1R (0.36) CHRM2CHRM3MEN1KMT2AMCHR1
SCHEMBL2157549 0.78 P2RX7 (0.40) MGLL
SCHEMBL6426599 0.77 USP30 (0.47) MEN1KMT2AMCHR1
SCHEMBL2157793 0.77 NPY1R (0.38) MEN1KMT2AMCHR1
SCHEMBL6429208 0.76 PDK2 (0.38) MCHR1
SCHEMBL6426877 0.76 KMT2A (0.60) MEN1KMT2A

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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 — — 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS CHRM2 4876/4885CHRM3 4703/4885MEN1 3052/4885

“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.

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