SCHEMBL2308045

SCHEMBL2308045

COc1ccc2nc(Nc3ccc(-c4ccc(C(=O)[C@H]5CCC[C@@H](C(=O)O)C5)cc4)cc3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
SCD O00767 4/20 0.54
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
DGAT1 O75907 2/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.48
ITK Q08881 2/20 0.48
THRB P10828 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
SCHEMBL2309677 1.00 MAPT (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2308050 1.00 MAPT (0.55) MAPTNPC1RAB9AMEN1KMT2A
Bicarbonate SCHEMBL2314895 0.93 NPC1 (0.59) MAPTNPC1RAB9AMEN1KMT2A
Bicarbonate SCHEMBL2308957 0.91 NPC1 (0.59) MAPTNPC1RAB9AMEN1KMT2A
Bicarbonate SCHEMBL2309768 0.90 NPC1 (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2314432 0.89 DGAT1 (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2308953 0.89 DGAT1 (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2309683 0.89 DGAT1 (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2308597 0.89 NPC1 (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2307808 0.89 NPC1 (0.59) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US claimed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP claimed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US claimed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US claimed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US claimed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US claimed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US claimed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US claimed

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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC MAPT 4379/4885NPC1 187/4885RAB9A 2066/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC MAPT 4379/4885NPC1 187/4885RAB9A 2066/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC MAPT 4379/4885NPC1 187/4885RAB9A 2066/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC MAPT 4379/4885NPC1 187/4885RAB9A 2066/4885

“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.