SCHEMBL3166887

SCHEMBL3166887

CCCCCOC(=O)[C@@H](N)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HTR2C P28335 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL14315830 1.00 TSHR (0.48) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL14315869 1.00 TSHR (0.48) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL7781605 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL2214933 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL7782942 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL18672810 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL2214927 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL7782139 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL7782136 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C
SCHEMBL31584710 0.98 NAAA (0.52) TSHRNAAAEPHX1ALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520195-B Novel nucleoside phosphonate prodrugs 勒芬天主教大学 2023-01-17 CN claimed
CN-115197148-B 5-benzyl imidazole compound and preparation method and application thereof 四川大学华西医院 2023-12-12 CN disclosed
CN-110520195-B Novel nucleoside phosphonate prodrugs 勒芬天主教大学 2023-01-17 CN disclosed
EP-3600556-A1 NOVEL PRODRUGS OF NUCLEOSIDE PHOSPHONATES Katholieke Universiteit Leuven (BE) 2020-02-05 EP disclosed
CN-110520195-A Novel nucleoside phosphonate prodrugs UNIV LEUVEN KATH 2019-11-29 CN disclosed
WO-2018172416-A1 NOVEL PRODRUGS OF NUCLEOSIDE PHOSPHONATES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-09-27 WO disclosed
EP-2860176-B1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF BEIJING FORELAND BIOPHARMA CO LTD (CN) 2017-09-27 EP disclosed
CN-107148216-A Pesticidal formulations 石原产业株式会社 2017-09-08 CN disclosed
US-9315492-B2 Heterocyclic group contained amino-methanol derivative, and salt, synthetic method and use thereof BEIJING FORELAND BIOPHARMA CO., LTD. (CN) 2016-04-19 US disclosed
EP-2860176-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF Beijing Foreland Biopharma Co., Ltd. (CN) 2015-04-15 EP disclosed
US-20150094337-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF BEIJING FORELAND BIOPHARMA CO., LTD. (CN) 2015-04-02 US disclosed
WO-2010088573-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. (US) 2010-08-05 WO disclosed
US-7718598-B1 Auxiliary for amide bond formation THE UNIVERSITY OF QUEENSLAND (AU) 2010-05-18 US disclosed
EP-1115739-B1 AUXILIARY FOR AMIDE BOND FORMATION UNIV QUEENSLAND (AU) 2009-04-29 EP disclosed
EP-1115739-A4 AUXILIARY FOR AMIDE BOND FORMATION UNIV QUEENSLAND (AU) 2004-10-27 EP disclosed
EP-1115739-A1 AUXILIARY FOR AMIDE BOND FORMATION THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018789-A1 AUXILIARY FOR AMIDE BOND FORMATION THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed
US-3954845-A Synthetic detergents of the ampholytic betaine type, process for preparing the same and compositions MODOKEMI AKTIEBOLAG (SW) 1976-05-04 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 (1 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-20150094337-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF SSB, HLA-DRB1, MYD88 TSHR 2212/4885NAAA 626/4885EPHX1 4311/4885

“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.