SCHEMBL308857

SCHEMBL308857

CC(C)(C)OC(=O)CCNC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ADH1B P00325 3/20 0.38
ADH1A P07327 3/20 0.38
ADH7 P40394 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADH1C P00326 2/20 0.35
MLYCD O95822 1/20 0.35
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL25133003 0.87 EPHX2 (0.49) EPHX2ADH1BADH1AADH7TDP1
SCHEMBL3485766 0.83 EPHX2 (0.40) EPHX2TDP1CTSKMAOAMAOB
SCHEMBL25614539 0.83 TLR2 (0.35) EPHX2ADH1BADH1AADH7TDP1
SCHEMBL16664772 0.81 HDAC6 (0.37) EPHX2TDP1CTSKMAOAMAOB
SCHEMBL22057175 0.80 EPHX2 (0.36) EPHX2ADH1BADH1AADH7TDP1
SCHEMBL9201635 0.79 EPHX2 (0.34) EPHX2TDP1CTSKHDAC3HDAC1
SCHEMBL871753 0.79 CA2 (0.37) TDP1CTSKMAOAMAOBHDAC3
SCHEMBL17222818 0.79 EPHX2 (0.40) EPHX2TDP1CTSKHDAC3HDAC1
SCHEMBL841504 0.79
SCHEMBL7505726 0.78 CTSK (0.36) EPHX2TDP1CTSKMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
US-20230129118-A1 PHYTOSPHINGOSINE DERIVATIVES AS ADJUVANTS IN IMMUNE STIMULATION Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-04-27 US disclosed
US-20230129118-A1 PHYTOSPHINGOSINE DERIVATIVES AS ADJUVANTS IN IMMUNE STIMULATION Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-04-27 US disclosed
EP-3912982-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF Hangzhou Dac Biotech Co., Ltd (CN) 2021-11-24 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
EP-3271329-B1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO LTD (CN) 2021-08-18 EP disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
CN-103957927-B Glucagon superfamily peptides exhibiting glucocorticoid receptor activity 印第安纳大学研究及科技有限公司 2016-11-09 CN disclosed
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 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 (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-20230129118-A1 PHYTOSPHINGOSINE DERIVATIVES AS ADJUVANTS IN IMMUNE STIMULATION UGCG, PA2G4, IL4 EPHX2 2533/4885ADH1B 4320/4885ADH1A 3974/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS EPHX2 1404/4885ADH1B 4135/4885ADH1A 4125/4885

“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.