SCHEMBL401215

SCHEMBL401215

CCc1ccc(-c2ccc(C(=O)N3CC[C@H](O)[C@H]3C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
SLC6A7 Q99884 1/20 0.45
ALDH1A1 P00352 3/20 0.43
PTGDR Q13258 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER2 P43116 1/20 0.41
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ADRB2 P07550 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
DNMT1 P26358 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
SCHEMBL202818 0.88 MMP13 (0.43) S1PR1S1PR5SLC6A7ALDH1A1MCHR1
SCHEMBL2692903 0.88 MMP13 (0.43) S1PR1S1PR5SLC6A7ALDH1A1MCHR1
SCHEMBL404132 0.82 SLC6A7 (0.38) SLC6A7ALDH1A1MCHR1ADRB2MEN1
SCHEMBL2694185 0.78 FFAR2 (0.41)
SCHEMBL2693072 0.78 MMP13 (0.45)
SCHEMBL1909477 0.77 GAA (0.58) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL2693934 0.77 SLC6A7 (0.41) S1PR1S1PR5SLC6A7ALDH1A1MCHR1
SCHEMBL10208063 0.76 FFAR2 (0.39)
SCHEMBL12064387 0.74 HSD11B1 (0.50) PTGDR2
SCHEMBL399384 0.74 HSD11B1 (0.50) PTGDR2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 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-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-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 S1PR1 2065/4885S1PR5 2769/4885SLC6A7 691/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS S1PR1 2065/4885S1PR5 2769/4885SLC6A7 691/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS S1PR1 2065/4885S1PR5 2769/4885SLC6A7 691/4885

“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.