SCHEMBL14745211

SCHEMBL14745211

CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3cc(Br)ccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.51
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
USP30 Q70CQ3 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
F12 P00748 1/20 0.41
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL1005056 0.92 BAZ2B (0.46) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL3476786 0.91 BAZ2B (0.53) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL3475373 0.89 KRAS (0.51) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL16441047 0.88 ESR2 (0.46) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL18870081 0.87 KRAS (0.49) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL14757819 0.87 ESR2 (0.45) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL12980685 0.85 KRAS (0.48) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL17805793 0.84 BAZ2B (0.48) KRASESR2NR1H2HDAC1HDAC6
SCHEMBL31716058 0.84 CCNB2 (0.43) KRASNR1H2HDAC1HDAC6BAZ2B
SCHEMBL1003831 0.83 USP30 (0.46) KRASESR2NR1H2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP KRAS 978/4885ESR2 3890/4885NR1H2 3290/4885

“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.