SCHEMBL4540293

SCHEMBL4540293

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

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
PPARG P37231 1/20 0.44
HPGDS O60760 1/20 0.43
MCHR1 Q99705 1/20 0.43
KLKB1 P03952 2/20 0.42
KLK1 P06870 1/20 0.42

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
SCHEMBL14400856 0.91 F10 (0.51) HPGDS
SCHEMBL1096679 0.90 CA2 (0.42) CA2CA1PPARG
SCHEMBL13984720 0.90 HDAC6 (0.53) HDAC6HDAC3NCOR2PPARGHPGDS
SCHEMBL405181 0.89 CA2 (0.49) CA2CA1PPARGHPGDS
SCHEMBL5450568 0.89 CA2 (0.49) CA2CA1PPARGHPGDS
SCHEMBL1095597 0.88 PPARG (0.44) CA2CA1PPARG
SCHEMBL400177 0.88 TAS1R3 (0.50) PPARG
SCHEMBL399540 0.86 TAS1R3 (0.49) PPARG
SCHEMBL401432 0.86 TAS1R3 (0.48) PPARG
SCHEMBL1109436 0.86 ALDH1A1 (0.47) HDAC6HDAC3CA2PPARG

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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885HDAC3 2114/4885NCOR2 3652/4885

“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.