SCHEMBL6892779

SCHEMBL6892779

CCCCCOC(=O)OC(C)I

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.40
FAAH O00519 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL31112738 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6895955 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6894957 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL26450516 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL31112254 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL31112273 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL27473550 0.96 NAAA (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6890550 0.94 ALDH1A1 (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6894066 0.86 HCAR2 (0.36) TSHRALDH1A1HCAR2MAPK1LMNA
SCHEMBL10087932 0.84 LMNA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2

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 6 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
US-4755598-A 1'-(substituted)ethyl-7β-[2-(2-aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylate derivatives having antibacterial utility TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-07-05 US disclosed
EP-0128028-A2 Cephalosporin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 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 NAAA 995/4885EPHX1 3016/4885TSHR 4209/4885

“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.