SCHEMBL11989340

SCHEMBL11989340

CCC(=O)c1cc(N(C)C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
MYLK Q15746 1/20 0.36
SLC16A3 O15427 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL12173816 0.86 HSP90AB1 (0.44) MEN1KMT2AHSP90AB1ALDH1A1MAPT
SCHEMBL9041110 0.81 HSP90AB1 (0.40) KMT2AHSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL11111985 0.79 SLC16A3 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL509242 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9040007 0.77 HSP90AB1 (0.43) MEN1KMT2AHSP90AB1ALDH1A1MAPT
SCHEMBL27513380 0.77 HSP90AB1 (0.43) MEN1KMT2AHSP90AB1ALDH1A1MAPT
SCHEMBL31693367 0.77 MEN1 (0.65) MEN1KMT2AHSP90AB1ALDH1A1MAPT
SCHEMBL9720686 0.77 MEN1 (0.65) MEN1KMT2AHSP90AB1ALDH1A1MAPT
SCHEMBL11989396 0.76 HSP90AB1 (0.63) MEN1KMT2AHSP90AB1MAPTKDM4E
SCHEMBL13037406 0.75 MAPT (0.39) MEN1KMT2AALDH1A1MAPTKDM4E

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-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
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 (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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP MEN1 3710/4885KMT2A 734/4885HSP90AB1 264/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MEN1 3710/4885KMT2A 734/4885HSP90AB1 264/4885

“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.