SCHEMBL20127883

SCHEMBL20127883

CCCCCCN/C(=N\C(=O)OC(C)(C)C)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
CTSK P43235 2/20 0.47
HPGD P15428 1/20 0.45
NAAA Q02083 1/20 0.45
HDAC3 O15379 3/20 0.44
FAAH O00519 1/20 0.44
TLR2 O60603 1/20 0.43
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL20127882 0.81 CA12 (0.46) CTSKALDH1A1
SCHEMBL20127876 0.81 EPHX2 (0.51) EPHX2HPGDNAAAHDAC3FAAH
SCHEMBL17902822 0.80 CA1 (0.51) CTSK
SCHEMBL19651943 0.80 CA1 (0.51) CTSK
SCHEMBL20131352 0.80 CA12 (0.45) CTSKALDH1A1
SCHEMBL18866874 0.77 TDP1 (0.49) FAAHEPHX1
SCHEMBL29419422 0.76 TDP1 (0.46) EPHX1
SCHEMBL7988109 0.75 GRIN2D (0.49) CTSKALDH1A1
SCHEMBL5063054 0.74 HDAC3 (0.43) HPGDNAAAHDAC3HTT
SCHEMBL11260446 0.74 EPHX2 (0.69) EPHX2HPGDNAAAEPHX1ALDH1A1

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-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-10 US disclosed
US-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-10 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-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF CDK2, CCNT2, CCNE2 EPHX2 1163/4885CTSK 864/4885HPGD 139/4885

“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.