SCHEMBL3023217

SCHEMBL3023217

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
RECQL P46063 1/20 0.56
PTPN11 Q06124 1/20 0.54
POLB P06746 1/20 0.52
HTT P42858 2/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPRB P23467 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 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
SCHEMBL63833 0.87 HPGD (0.70) HPGDRECQLPOLBHTTMAPK10
SCHEMBL3019804 0.85 PTPN11 (0.50) HPGDRECQLPTPN11HTTKDM4E
SCHEMBL10412465 0.84 PTPN11 (0.60) HPGDPTPN11KDM4EHSD17B10ALDH1A1
SCHEMBL5899945 0.83 HPGD (0.64) HPGDRECQLPOLBHTTMAPK10
SCHEMBL404435 0.78 TSHR (0.62) HPGDPTPN11POLBKDM4ESMN1; SMN2
SCHEMBL69268 0.77 PTPN11 (0.69) HPGDPTPN11KDM4EHSD17B10ALDH1A1
SCHEMBL3001548 0.76 CA1 (0.72) PTPN11KDM4EMAPTLMNAMEN1
SCHEMBL3019329 0.76 PTPN11 (0.53) HPGDPTPN11KDM4EHSD17B10ALDH1A1
SCHEMBL3005954 0.76 PTPN11 (0.53) HPGDPTPN11KDM4EHSD17B10ALDH1A1
SCHEMBL29269116 0.76 CA1 (0.53) HPGDPTPN11KDM4ESMN1; SMN2HSD17B10

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-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

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 HPGD 307/4885RECQL 1074/4885PTPN11 3418/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HPGD 307/4885RECQL 1074/4885PTPN11 3418/4885

“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.