SCHEMBL23866582

SCHEMBL23866582

CCS(=O)(=O)NCCNC(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
GRIA1 P42261 3/20 0.33
CA1 P00915 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA9 Q16790 1/20 0.32
CA2 P00918 1/20 0.31
PTGES O14684 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
SCHEMBL9665524 0.82 CA1 (0.45) MEN1KMT2AMAPTCA1SMN1; SMN2
SCHEMBL12890626 0.78 ALDH1A1 (0.36) MEN1KMT2AMAPTGRIA1CA12
SCHEMBL14200565 0.76 CA1 (0.48) GRIA1CA1CA12CA7CA14
SCHEMBL26724609 0.76 CA1 (0.44) GRIA1CA1CA12CA7CA14
SCHEMBL19996824 0.73 KMT2A (0.39) MEN1KMT2AMAPTGRIA1CA1
SCHEMBL26724611 0.73 CA2 (0.48) GRIA1CA1CA12CA7CA14
SCHEMBL272858 0.72 TDP1 (0.36) SMN1; SMN2
SCHEMBL777392 0.72 CA12 (0.39) MEN1KMT2AGRIA1CA1CA12
SCHEMBL23833903 0.72 MEN1 (0.39) MEN1KMT2AMAPTCA1SMN1; SMN2
SCHEMBL20079220 0.71 EPHX1 (0.50) MEN1KMT2AGRIA1CA1CA12

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
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MEN1 4681/4885KMT2A 1065/4885MAPT 4291/4885

“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.