SCHEMBL21709555

SCHEMBL21709555

C#CCN(C(=O)CCCS)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 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
SCHEMBL21709554 0.84 ALDH1A1 (0.44) EPHX2
SCHEMBL16995154 0.83 EPHX2 (0.48) EPHX2MEN1KMT2A
SCHEMBL21709526 0.72
SCHEMBL8549712 0.70 MAOA (0.31)
SCHEMBL27557171 0.70 PYCR1 (0.31)
SCHEMBL26945502 0.68 MAPK1 (0.31)
SCHEMBL11291650 0.67 DPP4 (0.31)
SCHEMBL12556236 0.67 EPHX2 (0.52) EPHX2MEN1KMT2A
SCHEMBL6583788 0.64
SCHEMBL18746575 0.62 LMNA (0.42)

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-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 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-20200048276-A9 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 EPHX2 4592/4885MEN1 336/4885KMT2A 1253/4885

“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.