SCHEMBL3014583

SCHEMBL3014583

COC(=O)C(NC(=O)c1ccc(C#CC#Cc2ccc(NS(C)(=O)=O)cc2)cc1)C(C)N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 4/20 0.41
RECQL P46063 1/20 0.41
MAPK10 P53779 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ACLY P53396 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 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
SCHEMBL3014578 1.00 KDM4E (0.44) KDM4ELMNAHPGDRECQLMAPK10
SCHEMBL13266907 0.89 CA2 (0.45) KDM4ELMNAADRB2ADRB1ADRB3
SCHEMBL13984502 0.88 KDM4E (0.48) KDM4ELMNAHPGDRECQLMAPK10
SCHEMBL3012237 0.87 KDM4E (0.44) KDM4ELMNA
SCHEMBL3016867 0.83 KDM4E (0.39) KDM4ELMNAHPGDRECQLMAPK10
SCHEMBL3016864 0.83 KDM4E (0.39) KDM4ELMNAHPGDRECQLMAPK10
SCHEMBL16820788 0.82 TAS1R3 (0.41) TAS1R3TAS1R1
SCHEMBL16820790 0.82 TAS1R3 (0.41) TAS1R3TAS1R1
SCHEMBL16820792 0.82 TAS1R3 (0.41) TAS1R3TAS1R1
SCHEMBL16820907 0.81 TAS1R3 (0.41) TAS1R3TAS1R1

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 7 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-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
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 KDM4E 4299/4885LMNA 3214/4885HPGD 307/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KDM4E 4299/4885LMNA 3214/4885HPGD 307/4885

“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.