SCHEMBL1109401

SCHEMBL1109401

C[C@H](NCC(=O)NC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50
CTSB P07858 3/20 0.49
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
RPS6KA3 P51812 1/20 0.48

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
SCHEMBL13267523 1.00 TAOK1 (0.50) TAOK1TAOK3CTSBROCK2RPS6KA5
SCHEMBL13984499 0.91 GPR139 (0.45) TAOK1TAOK3GPR139ALDH1A1LMNA
SCHEMBL13267396 0.91 GPR139 (0.45) TAOK1TAOK3GPR139ALDH1A1LMNA
SCHEMBL13245500 0.90 GPR139 (0.44) GPR139
SCHEMBL15382520 0.90 GPR139 (0.44) GPR139
SCHEMBL13984712 0.90 GPR139 (0.44) GPR139
SCHEMBL404266 0.90 GPR139 (0.44) GPR139
SCHEMBL13245203 0.83 GPR139 (0.39) GPR139
SCHEMBL3022799 0.83 GPR139 (0.39) GPR139
SCHEMBL3022803 0.83 GPR139 (0.39) GPR139

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 12 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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (7 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 TAOK1 1470/4885TAOK3 2857/4885CTSB 259/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885CTSB 259/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885CTSB 259/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885CTSB 259/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TAOK1 1856/4885TAOK3 3155/4885CTSB 260/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885CTSB 259/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885CTSB 259/4885

“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.