SCHEMBL21576977

SCHEMBL21576977

CC(=O)OC1C(O)OC(COC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C1OC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(O)C1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PAX8 Q06710 1/20 0.42
PRKCA P17252 1/20 0.42
AKT1 P31749 1/20 0.42
PTK2 Q05397 1/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PTPN1 P18031 1/20 0.42
ANTXR2 P58335 1/20 0.41
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 2/20 0.40
TMPRSS2 O15393 1/20 0.39
PDE5A O76074 1/20 0.39
HMGCR P04035 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
SCHEMBL22063762 0.97 TSHR (0.41) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL16298992 0.96 TSHR (0.47) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL20023215 0.96 TSHR (0.47) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL21665520 0.95 TSHR (0.44) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL18031017 0.94 TSHR (0.44) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL22039261 0.93 TSHR (0.44) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL25981885 0.92 TSHR (0.43) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL14199422 0.92 TSHR (0.48) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL23011621 0.90 PTPN1 (0.43) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL14199417 0.90 TSHR (0.47) TSHRPAX8PRKCAAKT1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128522-A1 HEPATITIS B VIRUS (HBV) dsRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2023-04-27 US disclosed
US-20220235358-A1 ANGIOPOIETIN-LIKE 3 (ANGPTL3) iRNA COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2022-07-28 US disclosed
US-20220127615-A1 CORONAVIRUS IRNA COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2022-04-28 US disclosed
US-20220127618-A1 KETOHEXOKINASE (KHK) iRNA COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC 2022-04-28 US disclosed
US-20210388360-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF EXPRESSION OF PROTEIN C (PROC) GENES ALNYLAM PHARMACEUTICALS, INC. 2021-12-16 US disclosed
US-20190350962-A1 METHODS FOR TREATING OR PREVENTING TTR-ASSOCIATED DISEASES USING TRANSTHYRETIN (TTR) iRNA COMPOSITIONS ALNYLAM PHARMACEUTICALS, INC. 2019-11-21 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 (4 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-20190350962-A1 METHODS FOR TREATING OR PREVENTING TTR-ASSOCIATED DISEASES USING TRANSTHYRETIN (TTR) iRNA COMPOSITIONS TTR, SARNP, MTPN TSHR 626/4885PAX8 1927/4885PRKCA 3579/4885
US-20230128522-A1 HEPATITIS B VIRUS (HBV) dsRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF HAVCR2, EIF2AK2, ADAR TSHR 3817/4885PAX8 1505/4885PRKCA 1434/4885
US-20220127618-A1 KETOHEXOKINASE (KHK) iRNA COMPOSITIONS AND METHODS OF USE THEREOF GCKR, KHK, HK1 TSHR 1776/4885PAX8 1928/4885PRKCA 288/4885
US-20220235358-A1 ANGIOPOIETIN-LIKE 3 (ANGPTL3) iRNA COMPOSITIONS AND METHODS OF USE THEREOF TEK, RNASE1, LDLR TSHR 2165/4885PAX8 2273/4885PRKCA 822/4885

“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.