SCHEMBL3139804

SCHEMBL3139804

CC(C)(C)OC(=O)N[C@@H](CC=O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.43
DPP4 P27487 4/20 0.42
ATM Q13315 1/20 0.42
CTSK P43235 8/20 0.39
CTSS P25774 4/20 0.39
PTPN1 P18031 1/20 0.37
TRPA1 O75762 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
SCHEMBL16258141 0.88 CTSK (0.49) AAK1DPP4ATMCTSKCTSS
SCHEMBL27800588 0.86 DPP4 (0.47) AAK1DPP4ATMCTSKCTSS
SCHEMBL14550113 0.86 DPP4 (0.47) AAK1DPP4ATMCTSKCTSS
SCHEMBL27800590 0.86 DPP4 (0.47) AAK1DPP4ATMCTSKCTSS
SCHEMBL4664825 0.84 CTSS (0.56) AAK1ATMCTSKCTSSPTPN1
SCHEMBL4664829 0.84 CTSS (0.56) AAK1ATMCTSKCTSSPTPN1
SCHEMBL19500634 0.84 DPP4 (0.43) AAK1DPP4ATMCTSKCTSS
SCHEMBL342707 0.84 DPP4 (0.43) AAK1DPP4ATMCTSKCTSS
SCHEMBL344600 0.84 DPP4 (0.43) AAK1DPP4ATMCTSKCTSS
SCHEMBL342708 0.84 DPP4 (0.43) AAK1DPP4ATMCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
US-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 US disclosed
EP-2125725-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101953-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
WO-2008101953-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
EP-1961742-A1 compounds of formula (I) as serine protease inhibitors Novartis AG (CH) 2008-08-27 EP disclosed
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
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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-20100076024-A1 Novel Compounds as Serine Protease Inhibitors PRSS1, SERPINB1, SPINT2 AAK1 3047/4885DPP4 97/4885ATM 1978/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 AAK1 2780/4885DPP4 1/4885ATM 4683/4885

“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.