SCHEMBL2898640

SCHEMBL2898640

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
CTSK P43235 5/20 0.41
PTPN1 P18031 1/20 0.40
S1PR3 Q99500 1/20 0.39
TRPA1 O75762 1/20 0.39
PPARA Q07869 2/20 0.39
ACE P12821 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
NR3C1 P04150 1/20 0.38
PPARG P37231 1/20 0.37
MIF P14174 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36

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
SCHEMBL2891444 0.88 TRPA1 (0.38) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL2898663 0.88 TRPA1 (0.38) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL30697603 0.88 TRPA1 (0.38) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL29571131 0.88 CTSS (0.43) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL3822263 0.88 CTSS (0.43) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL11635357 0.86 CTSS (0.42) CTSSCTSKPPARAACEPPARG
SCHEMBL2833785 0.86 S1PR3 (0.50) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL27189327 0.86 CTSS (0.40) CTSSCTSKPTPN1S1PR3TRPA1
SCHEMBL2898215 0.85 CTSS (0.41) CTSSCTSKPPARAACEAAK1
SCHEMBL23413921 0.85 TRPA1 (0.45) CTSSCTSKPTPN1S1PR3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
WO-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO 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 (1 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-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, DPP4, DPP9 CTSS 1847/4885CTSK 1525/4885PTPN1 2545/4885

“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.