SCHEMBL20131352

SCHEMBL20131352

CC(C)(C)OC(=O)/N=C(\NN)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H2 P55055 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL20127882 0.88 CA12 (0.46) CA12CA1CA7CA14RIPK1
SCHEMBL19651943 0.86 CA1 (0.51) CA12CA1CA7CA14RIPK1
SCHEMBL17902822 0.86 CA1 (0.51) CA12CA1CA7CA14RIPK1
SCHEMBL7988109 0.83 GRIN2D (0.49) CA12CA1CA7CA14RIPK1
SCHEMBL20127883 0.80 EPHX2 (0.49) ALDH1A1CTSK
SCHEMBL31384541 0.78 RAB9A (0.46) CA12CA1CA7CA14RIPK1
SCHEMBL19639251 0.78 HDAC1 (0.52) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19639418 0.77 GAA (0.41) CA12CA1CA7CA14CTSK
SCHEMBL7986750 0.76 MMP8 (0.48) CA12CA1CA7CA14RIPK1
SCHEMBL21431059 0.76 CA1 (0.49) CA12CA1CA7CA14NPSR1

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.