SCHEMBL4854967

SCHEMBL4854967

CCCN(c1cccc(C[C@@H](C)CNC(=O)O)c1O)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
PTGER1 P34995 1/20 0.37

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
SCHEMBL5981554 0.91 MCL1 (0.39) MEN1KMT2AMAPT
SCHEMBL7449311 0.80 MEN1 (0.33) MEN1KMT2A
SCHEMBL7455250 0.79 ADAM17 (0.37) L3MBTL1MEN1KMT2AMAPT
SCHEMBL7455149 0.79 TP53 (0.38) L3MBTL1MEN1KMT2AMAPT
SCHEMBL7453712 0.79 TP53 (0.38) L3MBTL1MEN1KMT2AMAPT
SCHEMBL6375010 0.78 MCL1 (0.39)
SCHEMBL5996194 0.76 CYP2C8 (0.40) ESR1
SCHEMBL7455279 0.76 TEAD1 (0.43) ESR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL4848012 0.74 ESR1 (0.39) ESR1PTGER1
SCHEMBL7458622 0.73 RORC (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 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-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP ESR1 1279/4885L3MBTL1 1142/4885MEN1 3710/4885

“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.