SCHEMBL1109282

SCHEMBL1109282

C[C@@H](NCc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
RPS6KA5 O75582 3/20 0.47
AKT1 P31749 3/20 0.47
GSK3B P49841 3/20 0.47
PRKCD Q05655 3/20 0.47
PRKG2 Q13237 3/20 0.47
ROCK1 Q13464 3/20 0.47
PRKG1 Q13976 3/20 0.47
PKN2 Q16513 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
MAPK1 P28482 3/20 0.47
ROCK2 O75116 2/20 0.47
MAP4K4 O95819 2/20 0.47
CDK1 P06493 2/20 0.47
RPS6KB1 P23443 2/20 0.47
CDK2 P24941 2/20 0.47
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
CDC42BPA Q5VT25 2/20 0.47
SGK2 Q9HBY8 2/20 0.47

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
SCHEMBL10286680 1.00 HDAC1 (0.51) HDAC1RPS6KA5AKT1GSK3BPRKCD
SCHEMBL403733 0.91 ACACB (0.45)
SCHEMBL403760 0.91 ACACB (0.45)
SCHEMBL1912228 0.87 ALDH1A1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10286213 0.84 HDAC8 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1109319 0.84 HDAC1 (0.49) HDAC1RPS6KA5AKT1GSK3BPRKCD
SCHEMBL10287237 0.84 HDAC1 (0.49) HDAC1RPS6KA5AKT1GSK3BPRKCD
SCHEMBL401441 0.84 HPGDS (0.54) HDAC1RPS6KA5AKT1GSK3BPRKCD
SCHEMBL401005 0.84 HPGDS (0.54) HDAC1RPS6KA5AKT1GSK3BPRKCD
SCHEMBL1109551 0.84 MEN1 (0.46) HDAC1RPS6KA5AKT1GSK3BPRKCD

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 9 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 (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 HDAC1 824/4885RPS6KA5 332/4885AKT1 1292/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885RPS6KA5 332/4885AKT1 1292/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885RPS6KA5 332/4885AKT1 1292/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885RPS6KA5 332/4885AKT1 1292/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885RPS6KA5 332/4885AKT1 1292/4885

“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.