SCHEMBL402486

SCHEMBL402486

CCc1ccc(-c2ccc(C(=O)N[C@H](CNO)[C@@H](C)OCc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.48
TAOK1 Q7L7X3 3/20 0.47
TAOK3 Q9H2K8 2/20 0.47
CTSS P25774 6/20 0.45
CTSK P43235 3/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.43
CTSL P07711 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL12361539 0.81 KMT2A (0.53) TAOK1TAOK3RAB9ANPC1MAPT
SCHEMBL14195928 0.81 TAS1R3 (0.51) TAOK1TAOK3RAB9ANPC1L3MBTL1
SCHEMBL402511 0.80 TAS1R3 (0.50) TAOK1TAOK3RAB9ANPC1L3MBTL1
SCHEMBL3111813 0.77 ROCK2 (0.60) CTSBCTSSCTSKCTSLCYP3A4
SCHEMBL2256804 0.76 RAB9A (0.57) CTSBCTSSCTSKRAB9ANPC1
SCHEMBL8469846 0.71 KMT2A (0.69) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL10668355 0.70 PPARG (0.59) CTSBRAB9ANPC1MMP9MMP8
SCHEMBL11037532 0.70 PPARG (0.59) CTSBRAB9ANPC1MMP9MMP8
SCHEMBL10668352 0.70 PPARG (0.59) CTSBRAB9ANPC1MMP9MMP8
SCHEMBL11036087 0.70 PPARG (0.59) CTSBRAB9ANPC1MMP9MMP8

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 26 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-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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-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-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 (4 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 CTSB 259/4885TAOK1 1470/4885TAOK3 2857/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885TAOK1 1470/4885TAOK3 2857/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885TAOK1 1470/4885TAOK3 2857/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSB 259/4885TAOK1 1470/4885TAOK3 2857/4885

“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.