SCHEMBL1748073

SCHEMBL1748073

O=C(O)[C@H]1CCC[C@H](C(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.46
MGLL Q99685 1/20 0.44
HSD11B1 P28845 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SLC18A3 Q16572 2/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL1748074 1.00 SRD5A2 (0.46) SRD5A2MGLLHSD11B1CES2CES1
SCHEMBL1748075 1.00 SRD5A2 (0.46) SRD5A2MGLLHSD11B1CES2CES1
SCHEMBL10112217 0.86 MGLL (0.55) SRD5A2MGLLHSD11B1CES2CES1
SCHEMBL1865563 0.84 AKR1C3 (0.49) SRD5A2MGLLHSD11B1
SCHEMBL1865559 0.84 AKR1C3 (0.49) SRD5A2MGLLHSD11B1
SCHEMBL1865557 0.84 AKR1C3 (0.49) SRD5A2MGLLHSD11B1
SCHEMBL4770419 0.82 SRD5A2 (0.59) SRD5A2MGLLHSD11B1CES2CES1
SCHEMBL1747911 0.81 SMN1; SMN2 (0.45) MGLLHSD11B1RAB9AATMPOLB
SCHEMBL12265924 0.81 SMN1; SMN2 (0.45) MGLLHSD11B1RAB9AATMPOLB
SCHEMBL26622715 0.80 SRD5A2 (0.62) SRD5A2MGLLHSD11B1CES2CES1

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 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-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US 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 (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 SRD5A2 511/4885MGLL 51/4885HSD11B1 97/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SRD5A2 511/4885MGLL 51/4885HSD11B1 97/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SRD5A2 511/4885MGLL 51/4885HSD11B1 97/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SRD5A2 511/4885MGLL 51/4885HSD11B1 97/4885

“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.