SCHEMBL4893696

SCHEMBL4893696

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.50
CTSK P43235 6/20 0.50
ATM Q13315 1/20 0.46
PTPN1 P18031 1/20 0.44
SCN9A Q15858 4/20 0.44
CYP3A4 P08684 1/20 0.44
PIN1 Q13526 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
APP P05067 1/20 0.39
SYK P43405 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
SCHEMBL4896150 0.90 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL30753714 0.90 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL17015 0.90 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL3997764 0.90 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL3995181 0.89 ATM (0.44) CTSSCTSKATMPTPN1AAK1
SCHEMBL6030918 0.87 ATM (0.43) CTSSCTSKATMPTPN1SCN9A
SCHEMBL5230355 0.83 ATM (0.40) CTSSCTSKATMPTPN1AAK1
SCHEMBL23722980 0.83 CTSS (0.60) CTSSCTSKPTPN1SCN9ACYP3A4
SCHEMBL342707 0.81 DPP4 (0.43) CTSSCTSKATMPTPN1PIN1
SCHEMBL342708 0.81 DPP4 (0.43) CTSSCTSKATMPTPN1PIN1

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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
CN-101001841-A Tetrahydroquinolones and aza-analogues thereof useful as DPP-IV inhibitors for the treatment of diabetes ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 EP disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 CTSS 2636/4885CTSK 3323/4885ATM 4439/4885

“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.