SCHEMBL6397257

SCHEMBL6397257

O=C(NCCCS)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 1/20 0.57
TGM2 P21980 1/20 0.52
MGLL Q99685 2/20 0.50
RAB9A P51151 1/20 0.49
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.45
AKR1C3 P42330 1/20 0.44

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
SCHEMBL10756101 0.96 DPP8 (0.59) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6397529 0.92 DPP8 (0.54) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL10500161 0.89 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6418689 0.88 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL10825541 0.86 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6624294 0.86 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11391394 0.86 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL13647947 0.86 MGLL (0.67) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL6942547 0.85 HTT (0.68) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11099186 0.85 DPP8 (0.56) DPP8DPP9TGM2MGLLRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042026-A1 3,4-Disubstituted azetidin-2-on compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-12-23 EP claimed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0001627-B1 3-SUBSTITUTED-6-(1'HYDROXETHYL)-7-OXO-1-AZABICYCLO(3.2.0.)-HEPT-2-ENE-2-CARBOXYLIC ACID, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MERCK & CO. INC. (US) 1984-04-04 EP disclosed
EP-0074599-A1 5,6-cis-Carbapenem derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed
US-4347367-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-08-31 US disclosed
US-4218463-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-19 US disclosed
EP-0001627-A1 3-Substituted-6-(1'hydroxethyl)-7-oxo-1-azabicyclo(3.2.0.)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 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 (1 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 DPP8 1319/4885DPP9 2823/4885TGM2 725/4885

“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.