SCHEMBL16715181

SCHEMBL16715181

COc1ccc2c(CC(NC(=O)OC(C)(C)C)C(=O)OCC#N)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HPGD P15428 4/20 0.49
▸ CYP2D6 P10635 2/20 0.48
▸ LCK P06239 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BACE1 P56817 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 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
SCHEMBL16715180 1.00 KDM4E (0.49) KDM4EALDH1A1HPGDCYP2D6LCK
SCHEMBL5622971 0.86 MEN1 (0.60) KDM4EALDH1A1HPGDCYP2D6LCK
SCHEMBL15539797 0.74 CTSS (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL26195520 0.74 CYP2D6 (0.62) KDM4EALDH1A1HPGDCYP2D6LCK
SCHEMBL5622718 0.73 MEN1 (0.62) KDM4EALDH1A1HPGDLCKMEN1
SCHEMBL29528897 0.71 CTSS (0.48) —
SCHEMBL27140779 0.70 KDM4E (0.48) KDM4EALDH1A1HPGDLCKMEN1
SCHEMBL27140781 0.70 KDM4E (0.48) KDM4EALDH1A1HPGDLCKMEN1
SCHEMBL29529069 0.70 CTSS (0.54) —
SCHEMBL16724753 0.70 KDM4E (0.60) KDM4EALDH1A1HPGDCYP2D6LCK

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-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 — — US disclosed
US-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-05-21 — — 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-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS TRMT1, RNGTT, NSUN3 KDM4E 2042/4885ALDH1A1 2961/4885HPGD 4187/4885

“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.

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