SCHEMBL141264

SCHEMBL141264

CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PPM1D O15297 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15632355 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL27274652 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL31234239 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL144330 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL573307 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL15632374 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL1882303 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL9595376 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL24540367 0.91 ALDH1A1 (0.36) CHRM2CHRM1CHRM3ALDH1A1TSHR
SCHEMBL23555453 0.91 ALDH1A1 (0.36) CHRM2CHRM1CHRM3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889287-B1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME CELLTRION INC (KR) 2016-08-31 EP disclosed
US-9278996-B2 Dolastatin-10 derivative, method of producing the same and anticancer drug composition containing the same CELLTRION, INC. (KR) 2016-03-08 US disclosed
US-20150225455-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING THE SAME AND ANTICANCER DRUG COMPOSITION CONTAINING THE SAME CELLTRION, INC. (KR) 2015-08-13 US disclosed
EP-2889287-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME Celltrion, Inc. (KR) 2015-07-01 EP disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-7557136-B2 Pyrrolidine derivatives as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2009-07-07 US disclosed
US-20070037806-A1 Such as (3EZ,5S)-5-(hydroxymethyl)-1-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime which blocks oxytocin receptors; for prevention and/or treatment of preterm labor, premature birth or dysmenorrhea APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-02-15 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 (3 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-20150225455-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING THE SAME AND ANTICANCER DRUG COMPOSITION CONTAINING THE SAME DAD1, DDOST, SCD5 NR1H2 258/4885CHRM2 4836/4885CHRM1 4804/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 NR1H2 971/4885CHRM2 915/4885CHRM1 508/4885
US-20070037806-A1 Such as (3EZ,5S)-5-(hydroxymethyl)-1-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime which blocks oxytocin receptors; for prevention and/or treatment of preterm labor, premature birth or dysmenorrhea OXTR, PRLHR, OPRL1 NR1H2 589/4885CHRM2 631/4885CHRM1 168/4885

“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.