SCHEMBL1196777

SCHEMBL1196777

CCCCO[C@H](C(=O)O)[C@H](OCCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
TP53 P04637 1/20 0.40
FFAR1 O14842 1/20 0.40
PLA2G4B P0C869 2/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL284645 1.00 ATM (0.46) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL1196078 1.00 ATM (0.46) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL3960625 0.93 HCAR2 (0.47) HCAR2TSHRGPR84TP53FFAR1
SCHEMBL8935618 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53
SCHEMBL712622 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53
SCHEMBL5718514 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53
SCHEMBL7652872 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53
SCHEMBL453154 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53
SCHEMBL28253693 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53
SCHEMBL27575401 0.91 HCAR2 (0.48) HCAR2ALDH1A1TSHRGPR84TP53

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229621-B2 Method to enhance the immunogenicity of an antigen TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2007-06-12 US claimed
EP-1071411-B1 TOPICAL IMMUNOSTIMULATION TO INDUCE LANGERHANS CELL MIGRATION TORREY PINES INST (US) 2007-03-14 EP claimed
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT REDDY S LAB LIMTED DR (IN) 2016-06-16 US disclosed
US-8759583-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation TEVA SANTE (FR) 2014-06-24 US disclosed
US-20130066111-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CEPHALON FRANCE (FR) 2013-03-14 US disclosed
US-8318979-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2012-11-27 US disclosed
EP-1863760-B1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF THIO-SUBSTITUTED ARYLMETHANESULFINYL DERIVATIVES BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2012-10-03 EP disclosed
US-8183294-B2 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation Cephelon France (FR) 2012-05-22 US disclosed
US-20120123161-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CEPHALON FRANCE (FR) 2012-05-17 US disclosed
US-20110098505-A1 Process for Enantioselective Synthesis of Single Enantiomers of Thio-Substituted Arylmethanesulfinyl Derivatives by Asymmetric Oxidation CEPHALON FRANCE (FR) 2011-04-28 US disclosed
US-7915449-B2 Contacting the corresponding sulfur compound with complex, bas and oxidizer; oxidation; isolation CEPHALON FRANCE (FR) 2011-03-29 US disclosed
CN-1867544-A Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2006-11-22 CN disclosed
WO-2006097814-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF THIO-SUBSTITUTED ARYLMETHANESULFINYL DERIVATIVES BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2006-09-21 WO disclosed
EP-1702915-A1 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation CEPHALON FRANCE (FR) 2006-09-20 EP disclosed
US-20060205706-A1 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation CEPHALON FRANCE (FR) 2006-09-14 US disclosed
EP-1663963-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2006-06-07 EP disclosed
US-20050222257-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON, INC. (US) 2005-10-06 US disclosed
US-20050080256-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation TEVA SANTE (FR) 2005-04-14 US disclosed
WO-2005028428-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2005-03-31 WO disclosed
US-4704161-A Photosynthesis enhancement by substituted α-hydroxybutynoic acids and derivatives THE DOW CHEMICAL COMPANY (US) 1987-11-03 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 (7 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-20110098505-A1 Process for Enantioselective Synthesis of Single Enantiomers of Thio-Substituted Arylmethanesulfinyl Derivatives by Asymmetric Oxidation SULT1A1, TST, SULT2A1 ATM 1766/4885HCAR2 4184/4885ALDH1A1 59/4885
US-20120123161-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CYP2F1, SULT1A1, SULT2A1 ATM 2454/4885HCAR2 2781/4885ALDH1A1 186/4885
US-20130066111-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CYP2F1, SULT1A1, SULT2A1 ATM 2454/4885HCAR2 2781/4885ALDH1A1 186/4885
US-20050222257-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CYP2F1, SULT1A1, SULT2A1 ATM 2454/4885HCAR2 2781/4885ALDH1A1 186/4885
US-20060205706-A1 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation SULT1A1, TST, SULT2A1 ATM 1766/4885HCAR2 4184/4885ALDH1A1 59/4885
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT KMO, HCRTR2, COMT ATM 4344/4885HCAR2 321/4885ALDH1A1 1864/4885
US-20050080256-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation MAOA, CYP2F1, MAOB ATM 2360/4885HCAR2 2444/4885ALDH1A1 282/4885

“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.