SCHEMBL1109508

SCHEMBL1109508

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.48
CD274 Q9NZQ7 1/20 0.46
NAMPT P43490 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PSMB8 P28062 1/20 0.41
MAP4K4 O95819 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC10 Q969S8 1/20 0.40
ADAMTS4 O75173 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
SCHEMBL12064364 0.90 CYP17A1 (0.47) CYP17A1CD274NAMPTHDAC1HDAC6
SCHEMBL1109492 0.90 CYP17A1 (0.53) CYP17A1NAMPTHDAC1HDAC6HDAC3
SCHEMBL1095624 0.88 NAMPT (0.42) NAMPT
SCHEMBL13818551 0.84 HDAC1 (0.51) NAMPTHDAC1HDAC6HDAC3HDAC10
SCHEMBL1109105 0.83 HDAC4 (0.45) CD274HDAC1HDAC6HDAC3HDAC10
SCHEMBL12064336 0.83 HDAC4 (0.45) CD274HDAC1HDAC6HDAC3HDAC10
SCHEMBL1105490 0.83 PPARG (0.41) CD274HDAC1HDAC6HDAC3HDAC10
SCHEMBL5450568 0.83 CA2 (0.49)
SCHEMBL405181 0.83 CA2 (0.49)
SCHEMBL13659472 0.82 KIF11 (0.50)

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 8 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-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-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 (4 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 CYP17A1 1104/4885CD274 4420/4885NAMPT 1048/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CYP17A1 1104/4885CD274 4420/4885NAMPT 1048/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CYP17A1 1104/4885CD274 4420/4885NAMPT 1048/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CYP17A1 1104/4885CD274 4420/4885NAMPT 1048/4885

“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.