SCHEMBL20208655

SCHEMBL20208655

CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
PPARG P37231 1/20 0.50
NOS2 P35228 5/20 0.46
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 3/20 0.43
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
TSHR P16473 1/20 0.42
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL22240307 0.89 EPHX2 (0.51) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL22240360 0.85 EPHX2 (0.52) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL21578811 0.85 MMP8 (0.56) EPHX2PPARGCA12CA7CA9
SCHEMBL25453220 0.85 MMP8 (0.56) EPHX2PPARGCA12CA7CA9
SCHEMBL20209068 0.84 EPHX2 (0.51) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL27478679 0.82 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL6371364 0.82 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL27573321 0.82 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL20208583 0.81 EPHX2 (0.49) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL23660917 0.80 TRPA1 (0.45) NOS2NOS3NOS1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280721-B1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2020-07-22 EP disclosed
US-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 US disclosed
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 (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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH EPHX2 311/4885PPARG 630/4885NOS2 33/4885
US-10287316-B2 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.