SCHEMBL3011102

SCHEMBL3011102

CC(C)(C)OC(=O)N(Cc1ccc(C#C[Si](C)(C)C)cc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
HSD11B1 P28845 1/20 0.41
NSD2 O96028 1/20 0.39
KDM1A O60341 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 2/20 0.38
GABRA5 P31644 5/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRA4 P48169 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRA6 Q16445 3/20 0.38
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRB2 P47870 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL28137807 0.84 HSD11B1 (0.47) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL13245409 0.84 NSD2 (0.44) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL3013253 0.83 NR1H4 (0.43) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL13244819 0.82 NSD2 (0.42) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL17091111 0.81 GABRA5 (0.39) HDAC3GABRA5GABRG2GABRB3GABRA1
SCHEMBL26932077 0.81 GABRA5 (0.39) HDAC3GABRA5GABRG2GABRB3GABRA1
SCHEMBL3014335 0.80 HDAC6 (0.43) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL18617678 0.80 GPR119 (0.47) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL23179867 0.79 HSD11B1 (0.45) NR1H4HSD11B1NSD2KDM1AHDAC8
SCHEMBL18617665 0.79 HDAC8 (0.46) NR1H4HSD11B1KDM1AHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NR1H4 379/4885HSD11B1 664/4885NSD2 4593/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NR1H4 379/4885HSD11B1 664/4885NSD2 4593/4885

“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.