SCHEMBL1105490

SCHEMBL1105490

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
EGFR P00533 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL1095462 0.97 PPARG (0.43) PPARGALDH1A1LMNAMAPK1NPSR1
SCHEMBL402017 0.89 CA2 (0.46) HDAC1
SCHEMBL13818551 0.86 HDAC1 (0.51) NPSR1HDAC2HDAC8HDAC6HDAC3
SCHEMBL12379309 0.86 PPARG (0.39) PPARGCD274LMNAMAPK1SMN1; SMN2
SCHEMBL1109105 0.85 HDAC4 (0.45) CD274NPSR1HDAC2HDAC8HDAC6
SCHEMBL12064336 0.85 HDAC4 (0.45) CD274NPSR1HDAC2HDAC8HDAC6
SCHEMBL5128800 0.84 HDAC6 (0.42) ALDH1A1HDAC2HDAC8HDAC6EGFR
SCHEMBL12361261 0.84 L3MBTL1 (0.44) MAPK1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL402952 0.84 CA1 (0.54) PPARGHDAC2HDAC8HDAC6HDAC3
SCHEMBL1912126 0.84 CA2 (0.51)

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 16 patents. 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-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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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

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

For each of this compound's patents that has machine-readable text (5 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 PPARG 1875/4885CD274 4420/4885ALDH1A1 782/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CD274 4420/4885ALDH1A1 782/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CD274 4420/4885ALDH1A1 782/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885CD274 4420/4885ALDH1A1 782/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PPARG 1875/4885CD274 4420/4885ALDH1A1 782/4885

“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.