SCHEMBL402951

SCHEMBL402951

CCc1ccc(-c2ccc(C(=O)N[C@H](CN(O)C(=O)NC3CC3)[C@@H](C)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 4/20 0.47
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAOK3 Q9H2K8 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
POLB P06746 1/20 0.38
MCHR1 Q99705 3/20 0.38
CYP2D6 P10635 2/20 0.38
PLK1 P53350 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL403772 0.82 TAS1R3 (0.45) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL1095582 0.82 TAOK1 (0.42) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL1095545 0.81 TAOK1 (0.45) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL400868 0.80 KIFC1 (0.42) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL405304 0.79 TAOK1 (0.39) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL13659664 0.79 MCHR1 (0.40) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL1105554 0.79 SMN1; SMN2 (0.40) TAOK1LMNAKMT2ANPC1SMN1; SMN2
SCHEMBL403094 0.78 LMNA (0.44) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL402950 0.78 TAOK1 (0.46) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL460327 0.78 TAS1R3 (0.45) TAOK1TAS1R3TAS1R1TAOK3LMNA

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 34 patents — showing the first 20. 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-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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 TAOK1 1470/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAOK1 1470/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885TAS1R3 4169/4885TAS1R1 3477/4885

“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.