SCHEMBL9254931

SCHEMBL9254931

CCOC(=O)C1(C)CC1NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 7/20 0.47
TSHR P16473 6/20 0.46
ROCK2 O75116 1/20 0.46
ADAM17 P78536 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
CPB1 P15086 1/20 0.45
CYP2C9 P11712 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL10107900 0.85 ALDH1A1 (0.48) ALDH1A1GAACYP3A4TSHRROCK2
SCHEMBL571336 0.85 ALDH1A1 (0.48) ALDH1A1GAACYP3A4TSHRROCK2
SCHEMBL10150813 0.85 ALDH1A1 (0.48) ALDH1A1GAACYP3A4TSHRROCK2
SCHEMBL10167612 0.81 ALDH1A1 (0.55) ALDH1A1GAACYP3A4TSHRMAPK1
SCHEMBL31141108 0.77 ALDH1A1 (0.54) ALDH1A1GAATSHRROCK2CPB1
SCHEMBL571048 0.77 ROCK2 (0.42) ALDH1A1GAACYP3A4TSHRROCK2
SCHEMBL11934408 0.77 TSHR (0.47) ALDH1A1TSHRADAM17MAPK1SMN1; SMN2
SCHEMBL29723770 0.76 ALDH1A1 (0.49) ALDH1A1GAACYP3A4TSHRMAPK1
SCHEMBL6758979 0.76 ALDH1A1 (0.62) ALDH1A1GAACYP3A4TSHRROCK2
SCHEMBL12503473 0.75 ROCK2 (0.41) ALDH1A1GAACYP3A4TSHRROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8367625-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-05 US disclosed
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-10-11 US disclosed
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2012-08-16 US disclosed
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-19 US disclosed
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-06-28 US disclosed
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-24 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 (11 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-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 1404/4885GAA 200/4885CYP3A4 821/4885
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 ALDH1A1 1262/4885GAA 160/4885CYP3A4 892/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 1260/4885GAA 148/4885CYP3A4 808/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 1178/4885GAA 140/4885CYP3A4 768/4885
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 1063/4885GAA 168/4885CYP3A4 660/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 ALDH1A1 1262/4885GAA 160/4885CYP3A4 892/4885
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 1063/4885GAA 168/4885CYP3A4 660/4885
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALDH1A1 924/4885GAA 159/4885CYP3A4 1019/4885
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, Q6ZSR9, NQO2 ALDH1A1 1641/4885GAA 194/4885CYP3A4 934/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 ALDH1A1 1091/4885GAA 250/4885CYP3A4 1011/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC ALDH1A1 1713/4885GAA 726/4885CYP3A4 1762/4885

“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.