SCHEMBL5491444

SCHEMBL5491444

CC(=O)OC(C)OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 4/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.40
TBXA2R P21731 1/20 0.38
BLM P54132 2/20 0.37
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 3/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TRPV1 Q8NER1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGR P06401 1/20 0.31
PTGS1 P23219 1/20 0.31

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
Hydrochloric Acid SCHEMBL27621586 0.86 LMNA (0.46) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL987906 0.86 TSHR (0.65) TSHRLMNACHRM2CHRM4CHRM1
Acetic Acid SCHEMBL11076307 0.80 TSHR (0.58) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL9747539 0.78 TSHR (0.59) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL3814630 0.78 TSHR (0.55) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL3223981 0.77 LMNA (0.40) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL955409 0.77 TSHR (0.42) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL10403865 0.76 TSHR (0.52) TSHRCHRM2CHRM4CHRM1MAPT
SCHEMBL18256719 0.76 TSHR (0.52) TSHRLMNACHRM2CHRM4CHRM1
SCHEMBL3814641 0.76 TSHR (0.52) TSHRLMNACHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP disclosed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 US disclosed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 US disclosed
US-6503940-B2 Aids therapy THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-01-07 US disclosed
US-6486200-B1 Prodrugs for antimicrobial amidines THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-26 US disclosed
EP-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 EP disclosed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 US disclosed
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 WO disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 EP 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-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 TSHR 729/4885LMNA 4029/4885CHRM2 2307/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 TSHR 729/4885LMNA 4029/4885CHRM2 2307/4885

“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.