SCHEMBL1109577

SCHEMBL1109577

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(CNC3CCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HRH3 Q9Y5N1 1/20 0.46
PRKD1 Q15139 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
TAOK1 Q7L7X3 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
SCHEMBL1912283 0.98 HDAC1 (0.59) HDAC1HRH3PRKD1PDE4APDE4B
SCHEMBL1109481 0.97 HDAC1 (0.61) HDAC1HRH3PRKD1PDE4APDE4B
SCHEMBL1109459 0.97 HDAC1 (0.61) HDAC1HRH3PRKD1PDE4APDE4B
SCHEMBL1912156 0.97 HDAC1 (0.61) HDAC1HRH3PRKD1PDE4APDE4B
SCHEMBL10286691 0.96 HDAC1 (0.52) HDAC1HRH3PRKD1PDE4APDE4B
SCHEMBL398404 0.92 HDAC1 (0.55) HDAC1PRKD1PDE4APDE4BPDE4C
SCHEMBL401282 0.91 HDAC1 (0.53) HDAC1
SCHEMBL1109306 0.91 HDAC1 (0.47) HDAC1HRH3PRKD1TAOK1
SCHEMBL13267313 0.90 HDAC1 (0.55) HDAC1HRH3PRKD1PDE4APDE4B
SCHEMBL1109574 0.89 HDAC1 (0.47) HDAC1HRH3PRKD1PDE4APDE4B

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 11 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

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

For each of this compound's patents that has machine-readable text (6 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 HDAC1 824/4885HRH3 4195/4885PRKD1 4371/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HRH3 4195/4885PRKD1 4371/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HRH3 4195/4885PRKD1 4371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HRH3 4195/4885PRKD1 4371/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HRH3 4195/4885PRKD1 4371/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885HRH3 4195/4885PRKD1 4371/4885

“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.