SCHEMBL6013771

SCHEMBL6013771

COC(=O)Cc1c[nH]nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSP90AB1 P08238 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5440240 0.81 CA12 (0.51) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9568028 0.79
SCHEMBL28706176 0.79 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL8727943 0.79 LMNA (0.33) ALDH1A1HSP90AB1HSD17B10HTTMAPT
SCHEMBL9196900 0.77 TDP1 (0.33)
SCHEMBL25015656 0.77 RXFP1 (0.35) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL1966242 0.76 MAPK1 (0.31) MAPK1GAA
SCHEMBL28633894 0.76 KDM6B (0.47) KDM4EALDH1A1MAPTGAA
SCHEMBL25015506 0.75 POLB (0.38) ALDH1A1HTTMAPTKMT2ASMN1; SMN2
SCHEMBL28713144 0.75 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10HTTMAPT

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 26 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
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
US-7125986-B2 Penicillanic acid derivative compounds and methods of making SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH (US) 2006-10-24 US disclosed
US-7022691-B2 Inhibitors of serine and metallo-β-lactamases Buynak, John D. (US) 2006-04-04 US disclosed
US-20040220399-A1 Penicillanic acid derivative compounds and methods of making RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-11-04 US disclosed
US-6770759-B2 CEPHALOSPORINS FOR TREATING A BETA -LACTAM RESISTANT BACTERIAL INFECTION IN A MAMMAL; ENZYME INHIBITORS RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-08-03 US disclosed
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases ALAMX L.L.C. 2003-11-20 US 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
US-4142046-A BACTERICIDES, 7-AMINO-CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1979-02-27 US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 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 (4 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 KDM4E 2865/4885ALDH1A1 79/4885HSP90AB1 3508/4885
US-20020198180-A1 Penicillanic acid derivative compounds and methods of making MRPL21, RPIA, RPN1 KDM4E 3042/4885ALDH1A1 61/4885HSP90AB1 3320/4885
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases SRR, BACE1, PRSS1 KDM4E 1840/4885ALDH1A1 471/4885HSP90AB1 3786/4885
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors IDUA, NAALAD2, GLA KDM4E 2469/4885ALDH1A1 88/4885HSP90AB1 3377/4885

“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.