SCHEMBL20802464

SCHEMBL20802464

CCC(=O)NCC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PSMB5 P28074 1/20 0.38
RECQL P46063 2/20 0.35
GAA P10253 1/20 0.35
VDR P11473 2/20 0.35
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL23643337 0.81 RECQL (0.35) RECQLGAAVDRCA12CA1
SCHEMBL19323273 0.79 HPGD (0.42) MEN1KMT2ARECQLGAACYP2C9
SCHEMBL16388489 0.79 RECQL (0.34) RECQLGAAVDR
SCHEMBL3467454 0.79 ALDH1A1 (0.44) MEN1KMT2ARECQLGAAVDR
SCHEMBL12617509 0.79 TERT (0.38) RECQLGAAVDRCYP1A2CA12
SCHEMBL21850085 0.77 CA1 (0.34) RECQLVDRCA1CA2
SCHEMBL17721379 0.77 MEN1 (0.54) MEN1KMT2ARECQLCYP2C9SMN1; SMN2
SCHEMBL8056854 0.77 RECQL (0.33) RECQLVDR
SCHEMBL21099972 0.76 RECQL (0.55) MEN1KMT2APSMB5RECQLGAA
SCHEMBL3715221 0.76 RECQL (0.50) RECQLGAASMN1; SMN2ALDH1A1LMNA

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-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint Pharmaceuticals, Inc. 2019-03-14 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-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM MEN1 140/4885KMT2A 3918/4885PSMB5 4154/4885

“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.