SCHEMBL10141268

SCHEMBL10141268

CCCCCNC(=O)OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.58
EPHX1 P07099 2/20 0.58
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 2/20 0.49

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
SCHEMBL27357581 0.98 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL13296433 0.94 ACHE (0.66) ACHEEPHX1ALOX15ALDH1A1LMNA
SCHEMBL12537124 0.87 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL12537129 0.87 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL12537122 0.87 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL12537126 0.87 EPHX1 (0.61) ACHEEPHX1ALOX15
SCHEMBL24564811 0.87 ACHE (0.58) ACHEALDH1A1LMNAEPHX2
SCHEMBL8381807 0.86 SMN1; SMN2 (0.54) ACHEALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL8193146 0.85 ACHE (0.53) ACHEALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL10119353 0.85 LMNA (0.51) ACHEEPHX1ALOX15ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073622-A2 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING EPHRIN TYPE-A RECEPTOR 2 AND USES THEREOF RAYZEBIO, INC. (US) 2024-04-04 WO disclosed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
WO-2013071027-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2013-05-16 WO disclosed
WO-2013071039-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2013-05-16 WO disclosed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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 (6 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACHE 4018/4885EPHX1 1769/4885ALOX15 2352/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACHE 4018/4885EPHX1 1769/4885ALOX15 2352/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT ACHE 3382/4885EPHX1 4523/4885ALOX15 2186/4885
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB ACHE 393/4885EPHX1 927/4885ALOX15 1739/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ACHE 2739/4885EPHX1 3352/4885ALOX15 1784/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 ACHE 13/4885EPHX1 379/4885ALOX15 617/4885

“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.