SCHEMBL571048

SCHEMBL571048

CCOC(=O)C1(O[Si](C)(C)C(C)(C)C)CC1NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NAAA Q02083 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
ADAM17 P78536 1/20 0.39
CPB1 P15086 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL12503473 0.84 ROCK2 (0.41) ROCK2ALDH1A1GAANAAASMN1; SMN2
SCHEMBL30149320 0.78 ALDH1A1 (0.48) ROCK2ALDH1A1GAANAAASMN1; SMN2
SCHEMBL25746069 0.78 ALDH1A1 (0.48) ROCK2ALDH1A1GAANAAASMN1; SMN2
SCHEMBL10107900 0.77 ALDH1A1 (0.48) ROCK2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL10150813 0.77 ALDH1A1 (0.48) ROCK2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL9254931 0.77 ALDH1A1 (0.48) ROCK2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL571336 0.77 ALDH1A1 (0.48) ROCK2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL2992037 0.75 ALDH1A1 (0.62) ALDH1A1GAATSHRCPB1
SCHEMBL2992039 0.75 ALDH1A1 (0.62) ALDH1A1GAATSHRCPB1
SCHEMBL5007203 0.75 ALDH1A1 (0.62) ALDH1A1GAATSHRCPB1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47741-E1 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2019-11-26 US disclosed
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8524675-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8492354-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-23 US disclosed
US-8481502-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-09 US disclosed
US-8372813-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-12 US disclosed
US-8367625-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-05 US disclosed
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
WO-2011044503-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044501-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO 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-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ROCK2 4704/4885ALDH1A1 1063/4885GAA 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.