SCHEMBL3023015

SCHEMBL3023015

Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
GPR35 Q9HC97 2/20 0.38
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
RXRG P48443 1/20 0.36
AKT1 P31749 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL18394005 0.88 CES2 (0.47) CES2RXRARXRBGPR35NOTUM
SCHEMBL420887 0.83 RXRA (0.46) CES2RXRARXRBGPR35NOTUM
SCHEMBL15901970 0.81 CES2 (0.42) CES2GPR35NOTUMMAPTSCN8A
SCHEMBL3024423 0.81 CES2 (0.39) CES2GPR35NOTUMMAPT
SCHEMBL3027243 0.80 SLC6A9 (0.45) CES2GPR35NOTUMSCN8ASCN10A
SCHEMBL3233212 0.80 CES2 (0.38) CES2NOTUM
SCHEMBL422352 0.78 RXRA (0.51) CES2RXRARXRBGPR35NOTUM
SCHEMBL30628783 0.76 CES2 (0.47) CES2RXRARXRBGPR35NOTUM
SCHEMBL16888475 0.74 ALDH1A1 (0.42) NOTUMLMNAHTT
SCHEMBL23364827 0.74 CES2 (0.46) CES2RXRARXRBGPR35NOTUM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
EP-1838663-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C CES2 1184/4885RXRA 760/4885RXRB 887/4885
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 CES2 1465/4885RXRA 4840/4885RXRB 4790/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 CES2 1353/4885RXRA 4808/4885RXRB 4752/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C CES2 1184/4885RXRA 760/4885RXRB 887/4885

“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.