SCHEMBL400478

SCHEMBL400478

CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
HDAC1 Q13547 2/20 0.44
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HPGDS O60760 3/20 0.41
KDM4E B2RXH2 3/20 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
SCHEMBL403158 0.85 HDAC1 (0.62) TP53HDAC1HDAC3HDAC4HPGDS
SCHEMBL402124 0.85 MAPT (0.54) HDAC1MMP9MMP8MMP13MMP14
SCHEMBL399468 0.84 KDM4E (0.60) HDAC1MMP2MMP3MMP9MMP8
SCHEMBL403589 0.84 HDAC1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23091251 0.82 TP53 (0.60) TP53HDAC1MMP2MMP3MMP9
SCHEMBL405032 0.82 ERCC5 (0.54) HDAC1MMP13HDAC3HDAC4HDAC7
SCHEMBL400177 0.80 TAS1R3 (0.50) NPC1ALDH1A1RAB9A
SCHEMBL401433 0.80 MAPT (0.50) HDAC1HDAC6HPGDSCTSBCTSS
SCHEMBL401432 0.78 TAS1R3 (0.48) NPC1ALDH1A1RAB9A
SCHEMBL404524 0.78 HDAC6 (0.57) HDAC1HDAC6HPGDSKDM4ENPC1

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 34 patents — showing the first 20. 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-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-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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-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-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-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-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (3 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 TP53 4507/4885HDAC1 824/4885MMP2 450/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TP53 4507/4885HDAC1 824/4885MMP2 450/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TP53 4507/4885HDAC1 824/4885MMP2 450/4885

“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.