SCHEMBL2308736

SCHEMBL2308736

Cc1cccc2sc(Nc3ccc(-c4ccc(C(=O)C5CCC5C(=O)O)cc4)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
DGAT1 O75907 8/20 0.45
MAPT P10636 6/20 0.45
KMT2A Q03164 5/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 4/20 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
SCHEMBL2306562 1.00 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL2309730 0.96 DGAT1 (0.51) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL2312694 0.96 DGAT1 (0.51) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL2309877 0.96 DGAT1 (0.51) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL12430012 0.96 DGAT1 (0.51) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL2306379 0.94 KMT2A (0.47) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL2308611 0.94 KMT2A (0.47) SMN1; SMN2RAB9ANPC1TP53TSHR
Bicarbonate SCHEMBL2312555 0.88 NPC1 (0.47) SMN1; SMN2RAB9ANPC1TP53TSHR
Bicarbonate SCHEMBL2312696 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1TP53TSHR
Bicarbonate SCHEMBL2313424 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1TP53TSHR

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 12 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-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-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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 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

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 SMN1; SMN2 3975/4885RAB9A 2066/4885NPC1 187/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885RAB9A 2066/4885NPC1 187/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SMN1; SMN2 3975/4885RAB9A 2066/4885NPC1 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.