SCHEMBL462166

SCHEMBL462166

C[C@@H](O)[C@H](NC(=O)c1ccc(C(=O)NCCCN(C(=O)O)C(C)(C)C)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 6/20 0.43
TMEM97 Q5BJF2 5/20 0.43
PPARG P37231 1/20 0.40
ADAM17 P78536 1/20 0.39
ACKR3 P25106 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5462542 0.88 PPARG (0.37) PPARGADAM17
SCHEMBL4560210 0.84 SIRT1 (0.42) ADAM17
SCHEMBL2256428 0.82 HDAC1 (0.40) PPARGADAM17
SCHEMBL404699 0.79 PPARG (0.46) HPGDPPARGALDH1A1
SCHEMBL1095462 0.78 PPARG (0.43) PPARGALDH1A1
SCHEMBL3758442 0.77 LMNA (0.55) HPGDSIGMAR1TMEM97ACKR3ALDH1A1
SCHEMBL1105494 0.77 ANPEP (0.44) PPARGALDH1A1
SCHEMBL1105490 0.76 PPARG (0.41) PPARGALDH1A1
SCHEMBL1109433 0.75 HDAC1 (0.46) PPARG
SCHEMBL1109349 0.74 CYP1A2 (0.47) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 (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 HPGD 408/4885SIGMAR1 776/4885TMEM97 3828/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HPGD 408/4885SIGMAR1 776/4885TMEM97 3828/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGD 408/4885SIGMAR1 776/4885TMEM97 3828/4885

“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.