SCHEMBL23928018

SCHEMBL23928018

COC(=O)c1cnc(S)c(N)c1.COC(=O)c1cnc(S)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
OPRK1 P41145 1/20 0.45
VCAM1 P19320 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL27191579 0.92 MAPK1 (0.56) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL6749087 0.86 KDM4E (0.49) MAPTMAPK1POLBL3MBTL1KDM4E
SCHEMBL40980 0.81 MAPT (0.50) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL5248286 0.81 MAPK1 (0.56) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL11377331 0.78 MAPK1 (0.59) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL18038271 0.76 MAPK1 (0.57) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL31440674 0.76 MAPT (0.57) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL72992 0.76 MAPT (0.57) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL4662535 0.76 MAPT (0.64) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL13285512 0.75 MAPK1 (0.56) MAPTMAPK1POLBL3MBTL1OPRK1

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-20210332082-A1 TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES FOR PEPTIDE PURIFICATION Belyntic GmbH (DE) 2021-10-28 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-20210332082-A1 TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES FOR PEPTIDE PURIFICATION VIP, NGLY1, HM13 MAPT 1722/4885MAPK1 1019/4885POLB 1391/4885

“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.