SCHEMBL4587997

SCHEMBL4587997

[CH2]OC(=O)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.63
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL264346 0.83 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL28325138 0.81 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL472034 0.81 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11562520 0.80 PTGS2 (0.57) MAPTHPGDSMN1; SMN2L3MBTL1RAB9A
SCHEMBL4960786 0.80 GAA (0.62) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL4589730 0.80 CYP1A2 (0.54) ALOX15KMT2AMEN1ALDH1A1NPC1
SCHEMBL8769150 0.80 ALOX15 (0.59) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL80061 0.80 ALOX15 (0.59) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL4645756 0.80 ALOX15 (0.59) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL25306638 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220399-A1 Penicillanic acid derivative compounds and methods of making RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-11-04 US claimed
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases ALAMX L.L.C. 2003-11-20 US claimed
WO-2003087105-A1 INHIBITORS OF SERINE AND METALLO-ß-LACTAMASES ALAMX, L.L.C. (US) 2003-10-23 WO claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
US-20020198180-A1 Penicillanic acid derivative compounds and methods of making RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-12-26 US claimed
US-6436398-B2 ADMINISTERING A BETA-LACTAM ANTIBIOTIC WITH A BETA-LACTAMASE INHIBITING COMPOUND SUCH AS BENZHYDRYL 2-BETA-(CHLOROACETOXY-METHYL)-6-((Z)-(TERT-BUTOXYCARBONYL)METHYLENE) PENICILLINATE TO TREAT BETA-LACTAM RESISTANT BACTERIAL INFECTIONS RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-08-20 US claimed
EP-0966471-B1 2-BETA-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS BETA-LACTAMASE INHIBITORS RES CORP TECHNOLOGIES INC (US) 2002-06-12 EP claimed
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors RESEARCH CORPORATION TECHNOLOGIES, INC. 2001-09-13 US claimed
US-6156745-A 2β-substituted-6-alkylidene penicillanic acid derivatives as β-lactamase inhibitors RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-12-05 US claimed
EP-0966471-A1 2-BETA-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS BETA-LACTAMASE INHIBITORS Research Corporation Technologies, Inc (US) 1999-12-29 EP claimed
WO-1999033838-A1 2-β-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS β-LACTAMASE INHIBITORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-07-08 WO claimed
EP-0089216-A2 Cephalosporin compounds GLAXO GROUP LIMITED (GB) 1983-09-21 EP claimed
CN-109831913-B Reagent for reversibly protecting biomolecules 生物梅里埃公司 2022-01-21 CN disclosed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
EP-0089216-A3 CEPHALOSPORIN COMPOUNDS GLAXO GROUP LIMITED (GB) 1984-11-21 EP disclosed
EP-0089216-A2 Cephalosporin compounds GLAXO GROUP LIMITED (GB) 1983-09-21 EP disclosed
EP-0089216-A2 Cephalosporin compounds GLAXO GROUP LIMITED (GB) 1983-09-21 EP 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-20040220399-A1 Penicillanic acid derivative compounds and methods of making MRPL21, CYP51A1, RPIA ALOX15 2019/4885KMT2A 2513/4885MEN1 986/4885
US-20020198180-A1 Penicillanic acid derivative compounds and methods of making MRPL21, RPIA, RPN1 ALOX15 1811/4885KMT2A 2838/4885MEN1 650/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 ALOX15 2360/4885KMT2A 2879/4885MEN1 4643/4885
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases SRR, BACE1, PRSS1 ALOX15 2103/4885KMT2A 2245/4885MEN1 211/4885
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors IDUA, NAALAD2, GLA ALOX15 1579/4885KMT2A 2092/4885MEN1 1792/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 ALOX15 2365/4885KMT2A 1364/4885MEN1 3877/4885

“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.