SCHEMBL405546

SCHEMBL405546

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CNCc3cccc(C(F)(F)F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PTGES O14684 1/20 0.40
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13655023 0.93 PTGES (0.39) PTGESPTPN1MEN1MAPTKMT2A
SCHEMBL4877991 0.93 HDAC8 (0.41)
SCHEMBL1109381 0.93 USP2 (0.42) MLYCDMRGPRX4MEN1MAPTKMT2A
SCHEMBL406129 0.93 RHOC (0.41)
SCHEMBL404617 0.91 LMNA (0.43)
SCHEMBL404246 0.89 ANPEP (0.41)
SCHEMBL462066 0.88 USP2 (0.40) MAPT
SCHEMBL400296 0.88 NAMPT (0.44) MEN1KMT2A
SCHEMBL399708 0.88 HDAC1 (0.45)
SCHEMBL13244514 0.87 RECQL (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-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-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
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (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 MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MLYCD 900/4885MRGPRX4 2170/4885PTGES 472/4885

“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.