SCHEMBL403158

SCHEMBL403158

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HPGDS O60760 6/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
RXFP1 Q9HBX9 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ERCC5 P28715 1/20 0.47

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
SCHEMBL404524 0.86 HDAC6 (0.57) HDAC1HPGDSNPC1KDM4EALDH1A1
SCHEMBL399468 0.85 KDM4E (0.60) HDAC1HPGDSNPC1KDM4EALDH1A1
SCHEMBL400478 0.85 TP53 (0.51) HDAC1HPGDSNPC1RAB9AKDM4E
SCHEMBL403589 0.85 HDAC1 (0.44) HDAC1HPGDSNPC1RAB9AKDM4E
SCHEMBL401550 0.85 ACKR3 (0.51) HDAC1HPGDSNPC1RAB9AKDM4E
SCHEMBL401433 0.84 MAPT (0.50) HDAC1HPGDSCTSBCTSSMAPT
SCHEMBL402124 0.83 MAPT (0.54) HDAC1NPC1KDM4EALDH1A1HPGD
SCHEMBL405032 0.82 ERCC5 (0.54) HDAC1HPGDSNPC1RAB9AKDM4E
SCHEMBL404653 0.80 ALDH1A1 (0.53) HDAC1NPC1RAB9AKDM4EALDH1A1
SCHEMBL5903684 0.79 HDAC1 (1.00) HDAC1HPGDSNPC1RAB9AKDM4E

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 33 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 HDAC1 824/4885HPGDS 253/4885NPC1 371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HPGDS 253/4885NPC1 371/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HPGDS 253/4885NPC1 371/4885

“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.