SCHEMBL542300

SCHEMBL542300

CC(C)[C@@H](C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
SLC1A2 P43004 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
BCL2 P10415 2/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BAK1 Q16611 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 1/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL15623779 1.00 RAB9A (0.41) RAB9AALDH1A1PKMSLC1A2KMT2A
SCHEMBL1289923 0.92 RAB9A (0.39) RAB9AALDH1A1PKMSLC1A2KMT2A
SCHEMBL31259418 0.86 ALDH1A1 (0.46) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL1289817 0.80 ALDH1A1 (0.37) RAB9AALDH1A1PKMSLC1A2KMT2A
SCHEMBL1564220 0.80 ALDH1A1 (0.40) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL1514142 0.80 MEN1 (0.38) RAB9AALDH1A1KMT2AMEN1BCL2
Hydrochloric Acid SCHEMBL1289819 0.79 ALDH1A1 (0.36) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL57078 0.77 KMT2A (0.53) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL1564214 0.77 KMT2A (0.53) ALDH1A1PKMSLC1A2KMT2AMEN1
SCHEMBL5778952 0.76 TSHR (0.39) RAB9AALDH1A1KMT2AMEN1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2012-07-19 US disclosed
CN-102573845-A Novel dicarboxylic acid linked amino acid and peptide prodrugs of opioids and uses thereof SHIRE LLC 2012-07-11 CN disclosed
EP-2456434-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF Shire LLC (US) 2012-05-30 EP disclosed
WO-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 WO disclosed
EP-2413937-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-02-08 EP disclosed
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 US disclosed
WO-2011011766-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-01-27 WO disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 US disclosed
WO-2010112942-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-10-07 WO 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

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

For each of this compound's patents that has machine-readable text (6 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 RAB9A 2424/4885ALDH1A1 1313/4885PKM 868/4885
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 RAB9A 1028/4885ALDH1A1 3187/4885PKM 719/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 RAB9A 707/4885ALDH1A1 327/4885PKM 794/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 RAB9A 1974/4885ALDH1A1 2614/4885PKM 4119/4885
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 RAB9A 1028/4885ALDH1A1 3187/4885PKM 719/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 RAB9A 1974/4885ALDH1A1 2614/4885PKM 4119/4885

“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.