SCHEMBL5981485

SCHEMBL5981485

CC(C)CCN(c1cccc(C[C@@H](C)CN(NC(=O)CBr)C(=O)CC(C)(C)C)c1O)S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C18 P33260 1/20 0.32
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL4846592 0.91 MAPT (0.33) BCL2L1MCL1MAPTCYP2C9CYP2C19
SCHEMBL7450756 0.91 CYP2C8 (0.33) BCL2L1MCL1MAPTCYP2C9CYP2C19
SCHEMBL6295692 0.82 TEAD1 (0.35) BCL2L1MCL1MAPTLMNAHTT
SCHEMBL7584054 0.82 KMT2A (0.39) BCL2L1MCL1MMP2MMP13MEN1
SCHEMBL5981554 0.77 MCL1 (0.39) BCL2L1MCL1MAPTCYP2C9CYP2C19
SCHEMBL5996194 0.76 CYP2C8 (0.40) BCL2L1MCL1CYP2C9CYP2C19CYP2C8
SCHEMBL7455250 0.73 ADAM17 (0.37) BCL2L1MCL1MAPTCYP2C9CYP2C19
SCHEMBL7584634 0.73 NPC1 (0.39) BCL2L1MCL1MEN1KMT2ANPC1
SCHEMBL7584650 0.71 KMT2A (0.37) BCL2L1MCL1MEN1KMT2ANPC1
SCHEMBL7873339 0.71 MCL1 (0.34) BCL2L1MCL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 US disclosed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US disclosed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US disclosed
US-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO 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 (3 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BCL2L1 2180/4885MCL1 1611/4885MAPT 2442/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BCL2L1 1901/4885MCL1 1409/4885MAPT 2279/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BCL2L1 2180/4885MCL1 1611/4885MAPT 2442/4885

“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.