SCHEMBL1748015

SCHEMBL1748015

Cc1cc2nc(S(C)(=O)=O)oc2cc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.37
KDM4E B2RXH2 8/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
HSD17B10 Q99714 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 10/20 0.35
HPGD P15428 4/20 0.35
TP53 P04637 3/20 0.34
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2RL3 Q96RI0 4/20 0.33
NQO2 P16083 1/20 0.32
FBP1 P09467 1/20 0.32
XBP1 P17861 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL31208297 0.79 KDM4E (0.51) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10
SCHEMBL1748058 0.79 KDM4E (0.51) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10
SCHEMBL1748081 0.79 KDM4E (0.53) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10
SCHEMBL18613864 0.74 FBP1 (0.44) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10
SCHEMBL1748273 0.74 FBP1 (0.44) SMN1; SMN2ALDH1A1MAPTF2RL3FBP1
SCHEMBL31208321 0.74 FBP1 (0.44) SMN1; SMN2ALDH1A1MAPTF2RL3FBP1
SCHEMBL1748229 0.74 PIK3CG (0.53) RAB9AMAPTTP53FBP1
SCHEMBL1748264 0.74 MAPT (0.41) MAPTTP53FBP1
SCHEMBL305334 0.72 LMNA (0.53) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10
SCHEMBL1748135 0.71 MAPT (0.51) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10

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 11 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 disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
CN-1816531-A Process for the preparation of aryl alkyl acid derivatives and their use for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-08-09 CN disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (5 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 SMN1; SMN2 3975/4885KDM4E 817/4885NPC1 187/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885KDM4E 817/4885NPC1 187/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885KDM4E 817/4885NPC1 187/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SMN1; SMN2 3975/4885KDM4E 817/4885NPC1 187/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SMN1; SMN2 3975/4885KDM4E 817/4885NPC1 187/4885

“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.