SCHEMBL19632028

SCHEMBL19632028

CC(C)(S)N1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 3/20 0.32
HSP90AA1 P07900 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL28318903 0.83 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL152557 0.77 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL9774898 0.77 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL18461453 0.72 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL8097847 0.72 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL21999424 0.72 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL709031 0.72 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL19491066 0.72 MGLL (0.37) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL12961236 0.70 MGLL (0.39) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL18533846 0.70 MGLL (0.40) MGLLGSK3AGSK3BGMNNALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2019-11-14 US disclosed
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 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 (5 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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MGLL 4610/4885GSK3A 4798/4885GSK3B 4800/4885
US-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF CALD1, CALU, STT3A MGLL 4565/4885GSK3A 2759/4885GSK3B 2972/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 MGLL 616/4885GSK3A 544/4885GSK3B 435/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MGLL 616/4885GSK3A 544/4885GSK3B 435/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MGLL 4610/4885GSK3A 4798/4885GSK3B 4800/4885

“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.