SCHEMBL20209068

SCHEMBL20209068

CCN[C@@H](Cc1ccc(F)cc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
PPARG P37231 1/20 0.51
NOS2 P35228 6/20 0.47
NOS3 P29474 3/20 0.47
NOS1 P29475 3/20 0.47
MAPT P10636 4/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1271157 0.88 BACE1 (0.53) CA12CA7CA9CA14BACE1
SCHEMBL6714925 0.88 BACE1 (0.53) CA12CA7CA9CA14BACE1
SCHEMBL22240360 0.86 EPHX2 (0.52) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL6277159 0.86 EPHX2 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL24925125 0.84 MMP8 (0.57) EPHX2PPARGALDH1A1BACE1GAA
SCHEMBL656070 0.84 MMP8 (0.57) EPHX2PPARGALDH1A1BACE1GAA
SCHEMBL6371364 0.84 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL27573321 0.84 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL27478679 0.84 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL20208655 0.84 EPHX2 (0.50) EPHX2PPARGNOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH EPHX2 311/4885PPARG 630/4885NOS2 33/4885

“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.