SCHEMBL2309544

SCHEMBL2309544

COc1ccc2sc(Nc3ccc(-c4ccc(C(=O)[C@H]5CCC[C@@H]5C(=O)O)cc4)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.55
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
DYRK1A Q13627 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
SCD O00767 2/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2310842 1.00 DGAT1 (0.55) DGAT1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL2309966 1.00 DGAT1 (0.55) DGAT1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL2314432 0.93 DGAT1 (0.64) DGAT1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2309683 0.93 DGAT1 (0.64) DGAT1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2308953 0.93 DGAT1 (0.64) DGAT1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2308597 0.89 NPC1 (0.59) DGAT1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL12430056 0.89 NPC1 (0.59) DGAT1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL2307808 0.89 NPC1 (0.59) DGAT1NPC1RAB9ASMN1; SMN2DYRK1A
Bicarbonate SCHEMBL2309547 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2DYRK1AMEN1
SCHEMBL2307041 0.86 DGAT1 (0.56) DGAT1RAF1BRAF

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 DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885NPC1 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.