SCHEMBL4596935

SCHEMBL4596935

COC(=O)CCc1ccccc1Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
PTPN1 P18031 3/20 0.42
ABCB1 P08183 1/20 0.42
CTSS P25774 5/20 0.42
CTSK P43235 4/20 0.42
HDAC8 Q9BY41 1/20 0.42
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
BCL2 P10415 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
SCN9A Q15858 1/20 0.40
PSMB5 P28074 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL14021781 1.00 ACE (0.43) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL4649784 0.93 ACE (0.46) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL14021784 0.93 ACE (0.46) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL4597563 0.90 HDAC8 (0.49) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL14021785 0.90 HDAC8 (0.49) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL14021782 0.90 ACE (0.54) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL4890846 0.90 ACE (0.54) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL4609402 0.88 ITGB3 (0.45) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL14021670 0.88 ITGB3 (0.45) ACEPTPN1ABCB1CTSSCTSK
SCHEMBL4609482 0.86 ACE (0.44) ACEPTPN1CTSSCTSKHDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US disclosed
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
EP-1907352-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS Bexel Pharmaceuticals Inc (US) 2008-04-09 EP disclosed
WO-2007005774-A9 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS INC (US) 2007-03-08 WO disclosed
WO-2007005774-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO disclosed
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2007-01-04 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-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ACE 907/4885PTPN1 2674/4885ABCB1 3375/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 ACE 907/4885PTPN1 2674/4885ABCB1 3375/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 ACE 907/4885PTPN1 2674/4885ABCB1 3375/4885

“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.