SCHEMBL187395

SCHEMBL187395

C[CH]OC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
DGAT1 O75907 1/20 0.36
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CTSK P43235 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL2639330 0.80 ELANE (0.34) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL4494018 0.79 TDP1 (0.39) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL697015 0.77
SCHEMBL5539990 0.77 HDAC6 (0.38) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL29121 0.76 DGAT1 (0.46) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL12604849 0.75 ELANE (0.34) ELANEDGAT1HDAC6HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL9998492 0.74 DGAT1 (0.43) ELANEDGAT1HDAC6HDAC1HDAC2
Hydrogen Peroxide SCHEMBL28079587 0.74 DGAT1 (0.43) ELANEDGAT1HDAC6HDAC1HDAC2
Fluoride SCHEMBL2692246 0.74 DGAT1 (0.43) ELANEDGAT1HDAC6HDAC1HDAC2
Methyl Alcohol SCHEMBL28820308 0.74 DGAT1 (0.43) ELANEDGAT1HDAC6HDAC1HDAC2

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 696 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711010-B2 Hydroxyester derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2020-07-14 US claimed
US-20180170947-A1 HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2018-06-21 US claimed
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
US-6185453-B1 IONTOPHORETIC DEVICE INCLUDING SPECIFIED INTEGRIN INHIBITORS SUCH AS N3-(2-(3-(4-FORMAMIDINOPHENYL)-ISOXAZOLIN-5(R,S)-YL)-ACETYL)-N2 -(PHENYLSULFONYL)-2,3-(S)-DIAMINOPROPANOIC ACID DUPONT PHARMACEUTICALS COMPANY 2001-02-06 US claimed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 EP claimed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO claimed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP claimed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 US claimed
US-4376770-A OXACEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1983-03-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180170947-A1 HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CASP3, BAX, CASP7 ELANE 820/4885DGAT1 4484/4885HDAC6 1662/4885
US-10711010-B2 Hydroxyester derivatives, a process for their preparation and pharmaceutical compositions containing them CASP3, BAX, CASP7 ELANE 820/4885DGAT1 4484/4885HDAC6 1662/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ELANE 63/4885DGAT1 3823/4885HDAC6 380/4885

“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.