SCHEMBL3008964

SCHEMBL3008964

COC(=O)[C@H](CO)NC(=O)c1ccc(C#C/C=C/c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSP90AA1 P07900 1/20 0.45
TSHR P16473 2/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 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
SCHEMBL3008968 1.00 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2HSP90AA1TSHR
SCHEMBL3008971 1.00 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2HSP90AA1TSHR
SCHEMBL3017871 0.92 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3017877 0.92 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3017884 0.92 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3011218 0.92 MAPK1 (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3013671 0.92 MAPK1 (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3013668 0.92 MAPK1 (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3001968 0.90 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13984487 0.89 KMT2A (0.54) KMT2AMAPK1SMN1; SMN2HSP90AA1TSHR

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 10 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-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
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
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (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 KMT2A 4779/4885MAPK1 2069/4885SMN1; SMN2 2202/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885MAPK1 2069/4885SMN1; SMN2 2202/4885

“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.