SCHEMBL20127882

SCHEMBL20127882

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RIPK1 Q13546 1/20 0.46
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 2/20 0.43
OPRK1 P41145 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 1/20 0.42
PPID Q08752 1/20 0.42
MMP8 P22894 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL19651943 0.88 CA1 (0.51) CA12CA1CA7CA14RIPK1
SCHEMBL20131352 0.88 CA12 (0.45) CA12CA1CA7CA14RIPK1
SCHEMBL17902822 0.88 CA1 (0.51) CA12CA1CA7CA14RIPK1
SCHEMBL7988109 0.82 GRIN2D (0.49) CA12CA1CA7CA14RIPK1
SCHEMBL20127883 0.81 EPHX2 (0.49) CTSKALDH1A1
SCHEMBL31384541 0.80 RAB9A (0.46) CA12CA1CA7CA14RIPK1
SCHEMBL19639251 0.79 HDAC1 (0.52) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19639418 0.78 GAA (0.41) CA12CA1CA7CA14CTSK
SCHEMBL7986750 0.77 MMP8 (0.48) CA12CA1CA7CA14RIPK1
SCHEMBL7986748 0.77 MMP8 (0.48) CA12CA1CA7CA14RIPK1

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-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 CA12 4800/4885CA1 4753/4885CA7 4576/4885

“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.