SCHEMBL6894271

SCHEMBL6894271

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
ALDH1A1 P00352 2/20 0.46
TGM2 P21980 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 2/20 0.43
AKR1C3 P42330 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL7721825 0.87 DPP8 (0.50) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL7721827 0.87 DPP8 (0.55) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL10500161 0.86 DPP8 (0.58) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL11161416 0.82 DPP8 (0.55) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL11382757 0.82 DPP8 (0.52) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL6397529 0.81 DPP8 (0.54) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL9128787 0.81 DPP8 (0.54) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL9878075 0.81 DPP8 (0.54) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL10916785 0.81 DPP8 (0.54) DPP8DPP9ALDH1A1TGM2MAPT
SCHEMBL10825508 0.81 DPP8 (0.54) DPP8DPP9ALDH1A1TGM2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 DPP8 85/4885DPP9 88/4885ALDH1A1 1161/4885

“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.