SCHEMBL2807429

SCHEMBL2807429

O=C(N[C@@H]1CCN(C(=O)C(F)(F)F)C1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.49
EPHX2 P34913 5/20 0.47
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM5A P29375 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.37
ENPP2 Q13822 1/20 0.37
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL2807431 1.00 EPHX1 (0.49) EPHX1EPHX2KDM1AALDH1A1KDM5A
Acetic Acid SCHEMBL2808744 0.94 EPHX1 (0.45) EPHX1EPHX2KDM1AALDH1A1KDM5A
Acetic Acid SCHEMBL2808743 0.94 EPHX1 (0.45) EPHX1EPHX2KDM1AALDH1A1KDM5A
SCHEMBL4503729 0.86 ALDH1A1 (0.41) EPHX1EPHX2KDM1AALDH1A1KDM5A
SCHEMBL4634407 0.86 EPHX1 (0.49) EPHX1EPHX2KDM1AALDH1A1KDM5A
SCHEMBL12136861 0.85 EPHX2 (0.46) EPHX1EPHX2ALDH1A1KDM5ACA12
SCHEMBL13853852 0.82 ALDH1A1 (0.42) EPHX1EPHX2ALDH1A1KDM5ACA12
SCHEMBL13638962 0.81 EPHX1 (0.47) EPHX1EPHX2KDM1AALDH1A1CYP2C19
SCHEMBL13162268 0.81 EPHX1 (0.47) EPHX1EPHX2KDM1AALDH1A1CYP2C19
SCHEMBL1026347 0.80 ALDH1A1 (0.37) EPHX1EPHX2KDM1AALDH1A1KDM5A

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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
US-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
US-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
WO-2010107809-A2 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 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 (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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS DPP4, DPP3, DPP7 EPHX1 1137/4885EPHX2 1805/4885KDM1A 1476/4885

“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.