SCHEMBL6894933

SCHEMBL6894933

CC(I)OC(=O)OCCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 5/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSH P09668 1/20 0.36
METAP2 P50579 1/20 0.36
KLK7 P49862 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL4480821 0.84 EPHX1 (0.38) EPHX1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL6889754 0.83 LMNA (0.45) CTSKCTSLCTSBCTSH
SCHEMBL13692816 0.81 EPHX1 (0.34) EPHX1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL698470 0.81 EPHX1 (0.46) EPHX1SMN1; SMN2
SCHEMBL696982 0.79 EPHX1 (0.44) EPHX1SMN1; SMN2KLK7
SCHEMBL12413766 0.78 EPHX1 (0.42) EPHX1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL4488864 0.77 CTSK (0.38) EPHX1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL4490761 0.76 ALDH1A1 (0.48) EPHX1SMN1; SMN2METAP2CHRM2CHRM4
SCHEMBL698517 0.75 EPHX1 (0.40) EPHX1SMN1; SMN2
SCHEMBL8392633 0.75 EPHX1 (0.41) EPHX1SMN1; SMN2CTSKCTSLCTSB

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 EPHX1 3016/4885SMN1; SMN2 2954/4885CTSK 1389/4885

“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.