SCHEMBL4335542

SCHEMBL4335542

CN(CCO)CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CA14 Q9ULX7 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
SSTR4 P31391 1/20 0.31
CYP2D6 P10635 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SCN1A P35498 1/20 0.30
HIF1A Q16665 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL5972574 0.87 TDP1 (0.42) TDP1SIGMAR1CA14
SCHEMBL18510032 0.85 DGAT1 (0.34) TDP1SIGMAR1MEN1KMT2ACA14
SCHEMBL18541808 0.85 MEN1 (0.31) MEN1KMT2AMAPT
SCHEMBL13145857 0.84 CA12 (0.42) SIGMAR1MEN1KMT2ACA14CA12
SCHEMBL20674802 0.84 CA12 (0.39) SIGMAR1MEN1KMT2ACA14CA12
SCHEMBL10170325 0.82 SIGMAR1 (0.33) SIGMAR1MEN1KMT2ACA14CA12
SCHEMBL6646724 0.82 SIGMAR1 (0.33) SIGMAR1MEN1KMT2ACA14CA12
SCHEMBL3031948 0.82 ALOX15 (0.41) TDP1MEN1KMT2AMAPTCA14
SCHEMBL1758843 0.82 ALOX15 (0.41) TDP1MEN1KMT2AMAPTCA14
SCHEMBL25039557 0.81 PIK3CD (0.38) SIGMAR1MEN1KMT2ACA14CA12

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
US-11318206-B2 Compounds and methods for trans-membrane delivery of molecules APOSENSE LTD (IL) 2022-05-03 US disclosed
US-20210369853-A1 TARGETED PROTEASE DEGRADATION PLATFORM EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-12-02 US disclosed
EP-3865152-A1 TARGETED PROTEASE DEGRADATION PLATFORM Eubulus Biotherapeutics Inc. (CN) 2021-08-18 EP disclosed
US-9993563-B2 Compounds and methods for trans-membrane delivery of molecules APOSENSE LTD. (IL) 2018-06-12 US disclosed
US-9993563-B2 Compounds and methods for trans-membrane delivery of molecules APOSENSE LTD. (IL) 2018-06-12 US disclosed
US-20170100486-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD. (IL) 2017-04-13 US disclosed
US-20170100486-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD. (IL) 2017-04-13 US disclosed
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 WO disclosed
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 WO disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT TDP1 2076/4885SIGMAR1 34/4885MEN1 4728/4885
US-20170100486-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES ABCB4, LNPK, MBOAT1 TDP1 3113/4885SIGMAR1 1977/4885MEN1 1713/4885
US-20210369853-A1 TARGETED PROTEASE DEGRADATION PLATFORM PSMB1, MDM2, XIAP TDP1 1341/4885SIGMAR1 4422/4885MEN1 1074/4885
US-11318206-B2 Compounds and methods for trans-membrane delivery of molecules ABCB4, LNPK, MBOAT1 TDP1 3113/4885SIGMAR1 1977/4885MEN1 1713/4885

“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.