SCHEMBL143729

SCHEMBL143729

CO/C=C\C1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NR1H2 P55055 1/20 0.32
CCR2 P41597 2/20 0.32
HSD11B1 P28845 1/20 0.32
UCHL1 P09936 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
HSD17B10 Q99714 1/20 0.30
RECQL P46063 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL142993 1.00 CHRM2 (0.34) CHRM2CHRM1CHRM3NR1H2CCR2
SCHEMBL15632355 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL144330 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL31234239 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL15632374 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL141264 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL1882303 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL9595376 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL573307 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1
SCHEMBL27274652 0.87 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CHRM2 915/4885CHRM1 508/4885CHRM3 1303/4885

“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.