SCHEMBL6708356

SCHEMBL6708356

CC(C)Cc1ccccc1S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ OPRK1 P41145 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ F2 P00734 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PTGES O14684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GBA1 P04062 1/20 0.35

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
SCHEMBL6762938 0.91 MEN1 (0.39) MEN1KMT2AOPRK1HSP90AA1HSP90AB1
SCHEMBL7461153 0.89 F2 (0.38) MEN1KMT2AOPRK1HSP90AA1HSP90AB1
SCHEMBL2577612 0.89 CA12 (0.39) MEN1KMT2AOPRK1F2CA12
SCHEMBL7464516 0.88 PSMB5 (0.39) MEN1KMT2AOPRK1HSP90AA1HSP90AB1
SCHEMBL7461055 0.88 SMN1; SMN2 (0.40) MEN1KMT2AOPRK1HSP90AA1HSP90AB1
SCHEMBL7458084 0.87 CA12 (0.38) MEN1KMT2AOPRK1F2CA12
SCHEMBL7460738 0.87 ALDH1A1 (0.41) OPRK1HSP90AA1HSP90AB1PDK1PDK2
SCHEMBL7463863 0.87 KMT2A (0.40) MEN1KMT2AOPRK1F2CA12
SCHEMBL6708363 0.86 ITGA4 (0.40) MEN1KMT2AOPRK1ALDH1A1
SCHEMBL8796414 0.82 ALDH1A1 (0.38) KMT2AOPRK1HSP90AA1HSP90AB1PDK1

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-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 — — US claimed
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-03-04 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP MEN1 3786/4885KMT2A 748/4885OPRK1 1942/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MEN1 3555/4885KMT2A 590/4885OPRK1 1830/4885

“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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