SCHEMBL2307216

SCHEMBL2307216

Cc1cc(C)c2sc(Nc3ccc(-c4ccc(C(=O)[C@H]5CCC[C@@H]5C(=O)O)cc4)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.52
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
LCK P06239 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2310871 1.00 DGAT1 (0.52) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL2311803 1.00 DGAT1 (0.52) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL2308636 0.87 DGAT1 (0.70) DGAT1MEN1NPC1RAB9AKMT2A
Bicarbonate SCHEMBL2307217 0.86 KMT2A (0.52) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL2308048 0.85 DGAT1 (0.60) DGAT1LCK
SCHEMBL2308884 0.85 DGAT1 (0.60) DGAT1LCK
SCHEMBL2314966 0.85 DGAT1 (0.60) DGAT1LCK
SCHEMBL1748125 0.85 DGAT1 (0.64) DGAT1NPC1RAB9ALCKKDM4E
SCHEMBL6032263 0.85 DGAT1 (0.64) DGAT1NPC1RAB9ALCKKDM4E
SCHEMBL1748123 0.85 DGAT1 (0.64) DGAT1NPC1RAB9ALCKKDM4E

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 6 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-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

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-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885MEN1 4348/4885NPC1 187/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885MEN1 4348/4885NPC1 187/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885MEN1 4348/4885NPC1 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.