SCHEMBL1109384

SCHEMBL1109384

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
RORC P51449 1/20 0.43
CSGALNACT1 Q8TDX6 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MCHR1 Q99705 3/20 0.41
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL1109229 0.93 RHOC (0.43) LMNAHPGDCSGALNACT1HDAC8MCHR1
SCHEMBL13659689 0.92 LMNA (0.43) LMNAHPGDRORCCSGALNACT1HDAC1
SCHEMBL404617 0.92 LMNA (0.43) LMNAHPGDRORC
SCHEMBL10285908 0.92 LMNA (0.46) LMNAHPGDHDAC8
SCHEMBL1109211 0.91 LMNA (0.47) LMNAHPGDHDAC1HDAC8ALDH1A1
SCHEMBL1109381 0.90 USP2 (0.42) CSGALNACT1KDM1A
SCHEMBL1109472 0.90 LMNA (0.47) LMNAHPGDHDAC1HDAC8KDM4E
SCHEMBL10285907 0.89 KDM4E (0.47) LMNAHPGDHDAC1HDAC8KDM4E
SCHEMBL1109466 0.89 NAMPT (0.43) LMNAHPGDKDM4EALDH1A1
SCHEMBL10285909 0.89 HPGD (0.47) LMNAHPGDHDAC1HDAC8MCHR1

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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 LMNA 3397/4885HPGD 408/4885RORC 1160/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885RORC 1160/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885RORC 1160/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885RORC 1160/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885RORC 1160/4885

“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.