SCHEMBL16724765

SCHEMBL16724765

CC(C)SSC[C@H](N)C(=O)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL16724763 0.81 BHMT (0.35)
SCHEMBL16724756 0.80 KIF11 (0.32) KIF11
SCHEMBL11680891 0.78 SLC7A5 (0.46) KIF11
SCHEMBL15539708 0.78 SLC7A5 (0.46) KIF11
SCHEMBL16728136 0.78 NOS2 (0.33)
SCHEMBL17324229 0.76 GABRP (0.31)
SCHEMBL23760062 0.74 KIF11 (0.40) KIF11
SCHEMBL17874627 0.69 KIF11 (0.44) KIF11
SCHEMBL16724759 0.69 METAP2 (0.37)
SCHEMBL10001193 0.69 SLC7A5 (0.56) CYP3A4CYP2D6TSHRNFKB1THPO

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 CYP3A4 4458/4885CYP2D6 4146/4885TSHR 2579/4885

“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.