SCHEMBL6013790

SCHEMBL6013790

[CH2]OC(=O)Cc1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.44
GAA P10253 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FDPS P14324 1/20 0.41
ALOX15 P16050 1/20 0.39
HTT P42858 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TAAR1 Q96RJ0 6/20 0.38
ALDH1A1 P00352 2/20 0.38
FPR2 P25090 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.37
TERT O14746 1/20 0.36

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
SCHEMBL3776897 0.85 TBXAS1 (0.46) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL10716164 0.82 TBXAS1 (0.41) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL6013791 0.81 KDM4E (0.46) TBXAS1GAASMN1; SMN2FDPSALOX15
Water SCHEMBL2827597 0.80 TBXAS1 (0.42) TBXAS1GAASMN1; SMN2FDPSALOX15
Hydrochloric Acid SCHEMBL28900907 0.80 KDM4E (0.49) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL16540538 0.79 GAA (0.43) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL7866877 0.79 HSD17B10 (0.50) TBXAS1GAASMN1; SMN2TAAR1ALDH1A1
SCHEMBL2648602 0.79
SCHEMBL17499836 0.78 TBXAS1 (0.39) TBXAS1GAASMN1; SMN2FDPSALOX15
SCHEMBL8519473 0.78 TBXAS1 (0.50) TBXAS1GAASMN1; SMN2FDPSALOX15

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 23 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-B1 2-BETA-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS BETA-LACTAMASE INHIBITORS RES CORP TECHNOLOGIES INC (US) 2002-06-12 EP disclosed
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors RESEARCH CORPORATION TECHNOLOGIES, INC. 2001-09-13 US disclosed
US-6156745-A 2β-substituted-6-alkylidene penicillanic acid derivatives as β-lactamase inhibitors RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-12-05 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

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 TBXAS1 2637/4885GAA 135/4885SMN1; SMN2 1461/4885
US-20020198180-A1 Penicillanic acid derivative compounds and methods of making MRPL21, RPIA, RPN1 TBXAS1 2858/4885GAA 206/4885SMN1; SMN2 1303/4885
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases SRR, BACE1, PRSS1 TBXAS1 2204/4885GAA 93/4885SMN1; SMN2 503/4885
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors IDUA, NAALAD2, GLA TBXAS1 2794/4885GAA 36/4885SMN1; SMN2 1551/4885

“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.