SCHEMBL1109385

SCHEMBL1109385

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccc(F)cc3C(F)(F)F)cc2)cc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
PPARG P37231 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
P2RX7 Q99572 4/20 0.38
DGAT1 O75907 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL403695 0.93 EPHX2 (0.39) EPHX2HDAC1HDAC6PPARGHDAC3
SCHEMBL13659697 0.92 MKNK1 (0.39) EPHX2HDAC1HDAC6PPARGHDAC3
SCHEMBL1109488 0.90 HDAC1 (0.46) HDAC1HDAC6PPARGDGAT1
SCHEMBL1109379 0.89 TAOK1 (0.46) EPHX2HDAC1HDAC6PPARGHDAC3
SCHEMBL10286176 0.88 DGAT1 (0.40) HDAC1HDAC6DGAT1
SCHEMBL1912199 0.86 HDAC1 (0.41) EPHX2HDAC1HDAC6PPARGHDAC3
SCHEMBL13655032 0.85 HDAC3 (0.36) EPHX2HDAC1HDAC6PPARGHDAC3
SCHEMBL1109473 0.84 ANPEP (0.39) HDAC1HDAC6DGAT1
SCHEMBL1109211 0.84 LMNA (0.47) HDAC1HDAC2DGAT1
SCHEMBL1109232 0.84 ANPEP (0.39) HDAC1HDAC6DGAT1

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 EPHX2 2566/4885HDAC1 824/4885HDAC6 660/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS EPHX2 2566/4885HDAC1 824/4885HDAC6 660/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS EPHX2 2566/4885HDAC1 824/4885HDAC6 660/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS EPHX2 2566/4885HDAC1 824/4885HDAC6 660/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS EPHX2 2566/4885HDAC1 824/4885HDAC6 660/4885

“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.