SCHEMBL2890943

SCHEMBL2890943

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
KLK5 Q9Y337 1/20 0.44
PTPN1 P18031 1/20 0.44
SCN9A Q15858 4/20 0.41
ABCB1 P08183 1/20 0.40
MMP13 P45452 1/20 0.40
TACR1 P25103 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE P12821 1/20 0.38
BCL2 P10415 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL20397842 0.87 CTSS (0.49) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL22143602 0.87 KLK5 (0.43) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL22143911 0.87 KLK5 (0.43) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL3648356 0.86 POLB (0.38) ITGB3ITGA2BACEPPARGMEN1
SCHEMBL864372 0.85 P2RX7 (0.45) CTSSCTSKPTPN1ALDH1A1LMNA
SCHEMBL7442384 0.84 KLK5 (0.53) CTSSCTSKKLK5PTPN1ABCB1
SCHEMBL1819934 0.84 KLK5 (0.53) CTSSCTSKKLK5PTPN1ABCB1
SCHEMBL864694 0.84 KLK5 (0.53) CTSSCTSKKLK5PTPN1ABCB1
SCHEMBL31494602 0.82 CTSS (0.51) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL864099 0.82 P2RX7 (0.40) CTSSCTSKPTPN1SCN9AALDH1A1

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 1525/4885KLK5 1365/4885

“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.