SCHEMBL4890128

SCHEMBL4890128

COC(=O)CCc1ccc(Oc2ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
ATM Q13315 1/20 0.46
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MMP13 P45452 1/20 0.40
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ACE P12821 1/20 0.38
PPARD Q03181 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
SCHEMBL4888242 0.88 CTSS (0.41) CTSSCTSKADRB2ADRB1PPARA
SCHEMBL14021672 0.84 ITGB3 (0.58) CTSSCTSKPPARAPPARGITGB3
SCHEMBL4608329 0.84 ITGB3 (0.58) CTSSCTSKPPARAPPARGITGB3
SCHEMBL2292941 0.83 PPARA (0.57) CTSSCTSKATMPPARAPPARG
SCHEMBL8667666 0.82 CTSS (0.49) CTSSCTSKATMPPARAPPARG
SCHEMBL4596856 0.81 FFAR1 (0.46) CTSSCTSKATMITGB3ITGA2B
SCHEMBL4684445 0.80 CTSS (0.50) CTSSCTSKATMPPARAPPARG
SCHEMBL4684444 0.80 CTSS (0.50) CTSSCTSKATMPPARAPPARG
SCHEMBL844432 0.79 ATM (0.56) CTSSCTSKATMPPARAPPARG
SCHEMBL844431 0.79 ATM (0.56) CTSSCTSKATMPPARAPPARG

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-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
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-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
US-7399786-B2 Derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2007-01-04 US 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 CTSS 3190/4885CTSK 2275/4885ATM 1251/4885
US-20070004725-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 CTSS 3190/4885CTSK 2275/4885ATM 1251/4885
US-20080261981-A1 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS GPR119, AADAT, FABP4 CTSS 3190/4885CTSK 2275/4885ATM 1251/4885

“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.