SCHEMBL401433

SCHEMBL401433

CCOc1cccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HSD17B2 P37059 3/20 0.46
HSD17B1 P14061 2/20 0.46
HPGDS O60760 6/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKX P51817 1/20 0.43
PRKCQ Q04759 1/20 0.43
ACVR1 Q04771 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL402124 0.90 MAPT (0.54) MAPTHDAC1HDAC6CHEK1AURKA
SCHEMBL404524 0.89 HDAC6 (0.57) MAPTHSD17B2HSD17B1HPGDSHDAC1
SCHEMBL403158 0.84 HDAC1 (0.62) MAPTHPGDSHDAC1CTSBCTSS
SCHEMBL10286655 0.81 RXRA (0.56) HPGDSHDAC6PRKACAGSK3AGSK3B
SCHEMBL399631 0.81 RXRA (0.56) HPGDSHDAC6PRKACAGSK3AGSK3B
SCHEMBL400478 0.80 TP53 (0.51) MAPTHPGDSHDAC1HDAC6GAA
SCHEMBL399468 0.80 KDM4E (0.60) MAPTHSD17B2HSD17B1HPGDSHDAC1
SCHEMBL401550 0.79 ACKR3 (0.51) MAPTHSD17B2HSD17B1HPGDSHDAC1
SCHEMBL405032 0.78 ERCC5 (0.54) MAPTHPGDSHDAC1HDAC6CHEK1
SCHEMBL5605133 0.77 EPHX2 (0.61) MAPTHSD17B2HSD17B1HDAC6GAA

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 31 patents — showing the first 20. 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-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-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 MAPT 4619/4885HSD17B2 1017/4885HSD17B1 717/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPT 4619/4885HSD17B2 1017/4885HSD17B1 717/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MAPT 4619/4885HSD17B2 1017/4885HSD17B1 717/4885

“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.