SCHEMBL1761374

SCHEMBL1761374

COc1cc(-c2ccc(Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)ccc1C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
RAB9A P51151 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 5/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
CLK1 P49759 1/20 0.46
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 1/20 0.44
DGAT1 O75907 1/20 0.44
CSGALNACT1 Q8TDX6 1/20 0.44
RECQL P46063 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
SCHEMBL1761439 0.89 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL1761564 0.88 DGAT1 (0.57) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL1761715 0.88 DCLK1 (0.51) KDM4ENPSR1RXFP1GAADGAT1
SCHEMBL1761351 0.88 DGAT1 (0.46) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL1761963 0.87 NPC1 (0.49) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL1761488 0.87 MAPT (0.48) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL1761678 0.79 PARP14 (0.43) DGAT1CSGALNACT1
SCHEMBL1761582 0.79 DGAT1 (0.48) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL1761380 0.79 DGAT1 (0.61) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL1761426 0.78 DGAT1 (0.62) KDM4EALDH1A1KMT2AMEN1RAB9A

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-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US claimed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP claimed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US claimed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US claimed
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 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 (2 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-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC KDM4E 278/4885ALDH1A1 93/4885KMT2A 249/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC KDM4E 278/4885ALDH1A1 93/4885KMT2A 249/4885

“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.