SCHEMBL14745382

SCHEMBL14745382

CC(C)(C)[Si](C)(C)OCc1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.34
METAP2 P50579 2/20 0.34
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
AHR P35869 2/20 0.33
CYP2A6 P11509 1/20 0.33
NR4A2 P43354 1/20 0.33
IDO1 P14902 2/20 0.32
ITK Q08881 1/20 0.32
P2RY6 Q15077 1/20 0.31
CSNK2A1 P68400 1/20 0.31
DUT P33316 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL29595819 0.81 LOXL2 (0.47) ALDH1A1HRH4AHR
SCHEMBL15717620 0.81 LOXL2 (0.47) ALDH1A1HRH4AHR
SCHEMBL31663239 0.81 LOXL2 (0.36) CA12CA1CA9
SCHEMBL31663343 0.80 NR3C1 (0.42) ITK
SCHEMBL14745993 0.77 IDO1 (0.39) NOS1METAP2IDO1CSNK2A1DUT
SCHEMBL21062158 0.77 DUT (0.30) DUT
SCHEMBL29997290 0.77 DUT (0.30) DUT
SCHEMBL14745758 0.76 LPL (0.35) CA1CA9
SCHEMBL6429168 0.75 LMNA (0.40) NOS1METAP2DYRK1ALMNARAB9A
SCHEMBL7677098 0.75 LOXL2 (0.51) LMNARAB9AALDH1A1HRH4IDO1

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 4 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-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 NOS1 1949/4885METAP2 1493/4885DYRK1A 4080/4885

“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.