SCHEMBL6891311

SCHEMBL6891311

C[CH]OC(=O)C(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.39
CA1 P00915 3/20 0.39
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL4396327 0.83 CA2 (0.63) CA2CA1TSHRUSP2MAPK1
SCHEMBL14879874 0.80 CA2 (0.39) CA2CA1TSHRUSP2MAPK1
SCHEMBL698791 0.78
SCHEMBL167033 0.78 CA2 (0.38) CA2CA1TSHRUSP2MAPK1
SCHEMBL8376341 0.74 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL8375328 0.74 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL247701 0.73 CA2 (0.44) CA2CA1TSHRUSP2MAPK1
SCHEMBL633191 0.73 CA2 (0.44) CA2CA1TSHRUSP2MAPK1
SCHEMBL445941 0.70
SCHEMBL184812 0.70

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 3 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
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 CA2 1928/4885CA1 3642/4885TSHR 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.