SCHEMBL7569774

SCHEMBL7569774

COc1ccc(S(=O)(=O)N[C@](Cc2ccccc2)(NC(=O)Oc2coc3occc23)[C@@H](C)O)cc1CC(C)(C)CCN

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5770229 0.85 HTR6 (0.34) MEN1KMT2AHTR6ALDH1A1PKM
SCHEMBL6199517 0.84 HTR6 (0.38) KMT2AHTR6ALDH1A1PKMSMN1; SMN2
SCHEMBL1600751 0.75 ABCB1 (0.46) KMT2AALDH1A1CYP3A4
SCHEMBL5772049 0.75 ABCB1 (0.46) KMT2AALDH1A1CYP3A4
SCHEMBL1602534 0.75 ABCB1 (0.46) KMT2AALDH1A1CYP3A4
SCHEMBL5774835 0.73 HTT (0.30) KMT2A
SCHEMBL1602713 0.73 ABCB1 (0.45) KMT2A
SCHEMBL1601307 0.73 ABCB1 (0.45) KMT2A
SCHEMBL5771962 0.70 MMP1 (0.34) KMT2AHTR6ALDH1A1
SCHEMBL1603130 0.68 ABCB1 (0.42) KMT2A

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-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 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-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MEN1 4418/4885KMT2A 864/4885HTR6 3976/4885

“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.