SCHEMBL14102471

SCHEMBL14102471

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.54
ACE P12821 1/20 0.51
ALDH1A1 P00352 2/20 0.49
DPP4 P27487 9/20 0.48
KCNH2 Q12809 4/20 0.48
FAP Q12884 3/20 0.48
PREP P48147 1/20 0.47
DPP9 Q86TI2 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CMA1 P23946 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL14102477 0.87 ALDH1A1 (0.49) ALDH1A1DPP4KCNH2FAPPREP
SCHEMBL8294401 0.86 TDP1 (0.56) KLK5TDP1
SCHEMBL6298469 0.86 TDP1 (0.56) KLK5TDP1
SCHEMBL4770561 0.86 ALDH1A1 (0.47) KLK5ACEALDH1A1DPP4POLB
SCHEMBL7852576 0.85 DPP4 (0.61) KLK5ACEDPP4DPP9
SCHEMBL14421765 0.84 KLK5 (0.48) KLK5ACEDPP4DPP9
SCHEMBL4921729 0.83 CTSK (0.47) ALDH1A1
SCHEMBL8505388 0.83 CTSK (0.47) ALDH1A1
SCHEMBL8290087 0.82 DPP4 (0.49) KLK5ACEDPP4DPP9CMA1
SCHEMBL4663334 0.82 DPP4 (0.49) KLK5ACEDPP4DPP9CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 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 (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-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 KLK5 1019/4885ACE 20/4885ALDH1A1 382/4885

“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.