SCHEMBL400716

SCHEMBL400716

C[C@@H](O)[C@H](NC(=O)C=Cc1ccc(C(F)(F)F)cc1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
ADAM17 P78536 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
NOS3 P29474 4/20 0.61
NOS1 P29475 4/20 0.61
NOS2 P35228 4/20 0.61
CYP1A2 P05177 1/20 0.50
MAOB P27338 3/20 0.49
UTS2R Q9UKP6 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
BACE1 P56817 1/20 0.45

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
SCHEMBL400715 1.00 HDAC3 (0.61) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL398709 0.85 MEN1 (0.63) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL398710 0.85 MEN1 (0.63) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL404625 0.84 NOS3 (0.47) HDAC1HDAC8NOS3NOS1NOS2
SCHEMBL404624 0.84 NOS3 (0.47) HDAC1HDAC8NOS3NOS1NOS2
SCHEMBL4920338 0.82 TDP1 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL401390 0.82 TDP1 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL401389 0.82 TDP1 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4920333 0.82 TDP1 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL403899 0.81 HDAC2 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11

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 12 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-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
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 HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC3 2114/4885ADAM17 1862/4885HDAC1 824/4885

“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.