SCHEMBL6887696

SCHEMBL6887696

O=C(NCCS(=O)(=O)NCC(=O)c1ncn2ccsc12)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TGM2 P21980 1/20 0.33
GAA P10253 1/20 0.33
BMP1 P13497 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL7042856 0.89 RAB9A (0.35) RAB9AALDH1A1MAPTGAAL3MBTL1
SCHEMBL6887473 0.88 RAB9A (0.41) DPP8DPP9RAB9AALDH1A1MAPT
SCHEMBL7729879 0.84 RAB9A (0.35) DPP8DPP9RAB9AALDH1A1MAPT
SCHEMBL6888050 0.80 DPP8 (0.35) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL6772807 0.78 DPP8 (0.42) DPP8DPP9RAB9AALDH1A1MAPT
SCHEMBL6893524 0.77 DPP8 (0.40) DPP8DPP9RAB9AALDH1A1MAPT
SCHEMBL6623459 0.76 DPP8 (0.44) DPP8DPP9RAB9AALDH1A1MAPT
SCHEMBL6891530 0.74 DPP8 (0.30) DPP8DPP9
SCHEMBL7728210 0.74 PLCG1 (0.33) DPP8DPP9
SCHEMBL6891104 0.74 PLCG1 (0.32) DPP8DPP9

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 4 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
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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 88/4885RAB9A 1538/4885

“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.