SCHEMBL2059516

SCHEMBL2059516

CSc1cccc(SC)c1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
CD69 Q07108 4/20 0.53
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL10387977 0.81 KMT2A (0.59) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL10729144 0.80 CD69 (0.41) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL9221920 0.80 L3MBTL1 (0.61) ALOX15L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL830740 0.75 KMT2A (0.60) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL9545380 0.73 KMT2A (0.58) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL28044483 0.73 KMT2A (0.53) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL1145948 0.72 KMT2A (0.62) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL1937755 0.72 KMT2A (0.57) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL6744642 0.72 SMN1; SMN2 (0.70) KMT2ACD69ALOX15LMNAL3MBTL1
SCHEMBL7695342 0.72 HPGD (0.44) KMT2APOLBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968707-B2 Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection ABBOTT LABORATORIES (US) 2011-06-28 US disclosed
US-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBVIE INC. 2008-06-12 US disclosed
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 US disclosed
EP-1295874-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2003-03-26 EP disclosed
US-6472529-B2 VIRICIDES ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 EP disclosed
US-20020004503-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2002-01-10 US disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 EP disclosed
US-6313296-B1 2-PYRROLIDINONE-1-ACETIC ACID DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS (HIV); ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT ABBOTT LABORATORIES 2001-11-06 US disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed
EP-0882024-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-12-09 EP disclosed
EP-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO disclosed
WO-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 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-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS SERPINB1, PREP, DNPEP KMT2A 2968/4885CD69 1954/4885ALOX15 3072/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 KMT2A 3171/4885CD69 2229/4885ALOX15 2883/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 KMT2A 3171/4885CD69 2229/4885ALOX15 2883/4885

“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.