Sugi Predict

Sugi Predict / Compounds / SCHEMBL403166

SCHEMBL403166

SCHEMBL403166

COC(=O)c1ccc(C#CC#Cc2ccc(Cl)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.47
▸ PTPN11 Q06124 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NAPRT Q6XQN6 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL10412465 0.83 PTPN11 (0.60) PTPN11MAPTL3MBTL1RAB9ATDP1
SCHEMBL403887 0.82 NAPRT (0.61) FFAR1PTPN11CHRNB2CHRNA4NAPRT
SCHEMBL29552438 0.80 MAPK1 (0.65) MAPTMAPK1NAPRTSMN1; SMN2L3MBTL1
SCHEMBL64640 0.80 MAPK1 (0.65) MAPTMAPK1NAPRTSMN1; SMN2L3MBTL1
SCHEMBL20241211 0.78 MAPK1 (0.62) MAPTMAPK1NAPRTSMN1; SMN2L3MBTL1
SCHEMBL29776105 0.78 MAPK1 (0.62) MAPTMAPK1NAPRTSMN1; SMN2L3MBTL1
SCHEMBL38659193 0.77 KDM4E (0.50) MAPTMAPK1NAPRTSMN1; SMN2L3MBTL1
SCHEMBL2952147 0.77 KDM4E (0.50) MAPTMAPK1NAPRTSMN1; SMN2L3MBTL1
SCHEMBL404435 0.77 TSHR (0.62) PTPN11MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL404124 0.76 PTPN11 (0.50) PTPN11MAPTMAPK1L3MBTL1RAB9A

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 24 patents — showing the first 20. 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-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 — — EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 — — US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 — — US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 — — US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 — — US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 — — EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 — — US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 — — EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 — — US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 — — 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 (7 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS FFAR1 1540/4885PTPN11 3357/4885MAPT 4619/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 FFAR1 1750/4885PTPN11 3667/4885MAPT 3822/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS FFAR1 1540/4885PTPN11 3357/4885MAPT 4619/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 FFAR1 1753/4885PTPN11 3418/4885MAPT 4643/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS FFAR1 1540/4885PTPN11 3357/4885MAPT 4619/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS FFAR1 1540/4885PTPN11 3357/4885MAPT 4619/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS FFAR1 1540/4885PTPN11 3357/4885MAPT 4619/4885

“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.