SCHEMBL5694591

SCHEMBL5694591

[CH2]OC(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.62
KDM4E B2RXH2 4/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 3/20 0.60
HIF1A Q16665 3/20 0.60
HSD17B10 Q99714 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
APEX1 P27695 2/20 0.60
THPO P40225 2/20 0.60
RGS12 O14924 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
BLM P54132 1/20 0.60
GNAI1 P63096 1/20 0.60
PMP22 Q01453 1/20 0.60
ALDH1A1 P00352 3/20 0.49
APP P05067 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
SCHEMBL3668882 0.81 GAA (0.72) YWHAGKDM4EGAAMAPTHIF1A
SCHEMBL29446278 0.81 GAA (0.72) YWHAGKDM4EGAAMAPTHIF1A
Methyl Alcohol SCHEMBL27946196 0.79 GAA (0.70) YWHAGKDM4EGAAMAPTHIF1A
SCHEMBL4140693 0.78 YWHAG (0.68) YWHAGKDM4EGAAMAPTHIF1A
SCHEMBL31741653 0.78 YWHAG (0.68) YWHAGKDM4EGAAMAPTHIF1A
SCHEMBL22982989 0.77 KDM4E (0.72) YWHAGKDM4EGAAMAPTHIF1A
SCHEMBL31618868 0.77 KDM4E (0.72) YWHAGKDM4EGAAMAPTHIF1A
SCHEMBL20847663 0.77 YWHAG (0.76) YWHAGKDM4EGAAMAPTHIF1A
3,4-Dihydroxyphenylacetic Acid SCHEMBL29382155 0.75 GAA (1.00) YWHAGKDM4EGAAMAPTHIF1A
3,4-Dihydroxyphenylacetic Acid SCHEMBL36348 0.75 GAA (1.00) YWHAGKDM4EGAAMAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125986-B2 Penicillanic acid derivative compounds and methods of making SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH (US) 2006-10-24 US claimed
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
US-20030036541-A1 Beta-lactamase inhibiting compounds RESEARCH CORPORATION TECHNOLOGIES, INC. 2003-02-20 US claimed
US-20020198180-A1 Penicillanic acid derivative compounds and methods of making RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-12-26 US claimed
JP-2002542249-A 2002-12-10 JP 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
US-6407091-B1 CEPHALOSPORIN DERIVATIVES; TREATING MICROBIAL AND ANTIBIOTIC RESISTANCE RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-06-18 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
EP-1169323-A1 BETA-LACTAMASE INHIBITING COMPOUNDS Research Corporation Technologies, Inc (US) 2002-01-09 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
WO-2000063213-A1 BETA-LACTAMASE INHIBITING COMPOUNDS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-10-26 WO 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
US-7125986-B2 Penicillanic acid derivative compounds and methods of making SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH (US) 2006-10-24 US disclosed
EP-1359153-B1 Beta-lactamase inhibiting compounds RES CORP TECHNOLOGIES INC (US) 2006-06-21 EP disclosed
EP-0966471-A1 2-BETA-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS BETA-LACTAMASE INHIBITORS Research Corporation Technologies, Inc (US) 1999-12-29 EP disclosed
WO-1999033838-A1 2-β-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS β-LACTAMASE INHIBITORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-07-08 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 (5 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-20030036541-A1 Beta-lactamase inhibiting compounds MRPL21, CYP51A1, BACE1 YWHAG 2359/4885KDM4E 888/4885GAA 4/4885
US-20040220399-A1 Penicillanic acid derivative compounds and methods of making MRPL21, CYP51A1, RPIA YWHAG 4241/4885KDM4E 2865/4885GAA 135/4885
US-20020198180-A1 Penicillanic acid derivative compounds and methods of making MRPL21, RPIA, RPN1 YWHAG 4301/4885KDM4E 3042/4885GAA 206/4885
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases SRR, BACE1, PRSS1 YWHAG 3093/4885KDM4E 1840/4885GAA 93/4885
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors IDUA, NAALAD2, GLA YWHAG 3222/4885KDM4E 2469/4885GAA 36/4885

“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.