SCHEMBL20364465

SCHEMBL20364465

CNC(=O)C(C)CCSC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.42
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ALDH1A1 P00352 1/20 0.35
FOLH1 Q04609 2/20 0.34
ADAM17 P78536 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ANPEP P15144 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12360663 0.83 TSHR (0.46) RNPEPMETAP2METAP1ALDH1A1FOLH1
SCHEMBL11320412 0.81 GABRR1 (0.40) FOLH1TSHR
SCHEMBL17845798 0.79
SCHEMBL24072795 0.79
SCHEMBL17017541 0.79 RNPEP (0.39) RNPEPMETAP2METAP1ALDH1A1FOLH1
SCHEMBL15382734 0.79 RNPEP (0.39) RNPEPMETAP2METAP1ALDH1A1FOLH1
SCHEMBL18255116 0.78 RNPEP (0.42) RNPEPMETAP2METAP1ALDH1A1FOLH1
SCHEMBL7288155 0.77 CTSC (0.41) RNPEPMETAP2METAP1LMNATSHR
SCHEMBL6690311 0.77 CTSC (0.41) RNPEPMETAP2METAP1LMNATSHR
SCHEMBL6850456 0.77 RNPEP (0.41) RNPEPALDH1A1LMNATSHRCTSS

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-20180194804-A1 SIMPLIFIED AND SCALABLE METHOD FOR SYNTHESIS OF 2,6-BIS(METHIONYL)- 1,4-DIKETOPIPERAZINE EVONIK DEGUSSA GMBH (DE) 2018-07-12 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-20180194804-A1 SIMPLIFIED AND SCALABLE METHOD FOR SYNTHESIS OF 2,6-BIS(METHIONYL)- 1,4-DIKETOPIPERAZINE METAP2, MTX2, METTL3 RNPEP 1823/4885METAP2 1/4885METAP1 4/4885

“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.