SCHEMBL8290320

SCHEMBL8290320

C=C(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MME P08473 1/20 0.41
DPP4 P27487 5/20 0.39
CTSA P10619 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PIN1 Q13526 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL18526772 0.86 CTSS (0.45) CTSSCTSKMMECTSAKMT2A
SCHEMBL755370 0.86 CTSS (0.45) CTSSCTSKMMECTSAKMT2A
SCHEMBL463397 0.84 DPP4 (0.38) MMEDPP4DPP8DPP9DPP7
SCHEMBL4896150 0.81 CTSS (0.60) CTSSCTSK
SCHEMBL3997764 0.81 CTSS (0.60) CTSSCTSK
SCHEMBL17015 0.81 CTSS (0.60) CTSSCTSK
SCHEMBL30753714 0.81 CTSS (0.60) CTSSCTSK
SCHEMBL14034476 0.80 MME (0.48) CTSSCTSKMMEDPP4CTSA
SCHEMBL890178 0.78 CTSS (0.42) CTSSCTSKKMT2AALDH1A1PPARG
SCHEMBL14282789 0.77 DPP4 (0.43) CTSSCTSKMMEDPP4CTSA

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-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 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 (2 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSS 505/4885CTSK 426/4885MME 129/4885
US-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 CTSS 550/4885CTSK 361/4885MME 84/4885

“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.