SCHEMBL2260358

SCHEMBL2260358

C[C@@H](O)[C@H](NCc1ccc(-c2cncc(C(=O)OC(C)(C)C)c2)cc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
KDM1A O60341 5/20 0.43
XDH P47989 5/20 0.39
MEP1B Q16820 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.36
SCN2A Q99250 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADAM17 P78536 1/20 0.34

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
SCHEMBL5129334 0.86 MEP1B (0.49) HDAC1KDM1AXDHMEP1BSCN10A
SCHEMBL5131869 0.84 MEP1B (0.43) MEP1BADAM17
SCHEMBL405190 0.84 XDH (0.50) HDAC1KDM1AXDH
SCHEMBL10286652 0.79 SDCBP (0.49) HDAC1MEP1B
SCHEMBL2258599 0.74 MEP1B (0.54) HDAC1MEP1B
SCHEMBL399832 0.73 ALDH1A1 (0.52) HDAC1MEP1BADAM17
SCHEMBL404304 0.73 ALDH1A1 (0.52) HDAC1MEP1BADAM17
SCHEMBL399676 0.73 ALDH1A1 (0.52) HDAC1MEP1BADAM17
SCHEMBL12064314 0.73 ALDH1A1 (0.52) HDAC1MEP1BADAM17
SCHEMBL402593 0.72 BACE1 (0.47) MEP1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885KDM1A 4512/4885XDH 395/4885

“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.