SCHEMBL21325263

SCHEMBL21325263

CC(C)(C)c1cc(OCC2CC2)[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.36
PARP10 Q53GL7 3/20 0.36
ELANE P08246 1/20 0.34
CD69 Q07108 1/20 0.34
RIPK1 Q13546 1/20 0.34
EP300 Q09472 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DUT P33316 4/20 0.33
GPR84 Q9NQS5 2/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20207973 0.80 PARP15 (0.39) PARP15PARP10HCAR2GPR84LMNA
SCHEMBL21325227 0.76 RIPK1 (0.36) PARP15PARP10RIPK1EP300MEN1
SCHEMBL12401804 0.70 RIPK1 (0.39) ELANECD69RIPK1EP300LMNA
SCHEMBL21325360 0.68 RIPK1 (0.41) PARP15PARP10RIPK1EP300
SCHEMBL21325074 0.67 CNR2 (0.36) PARP15PARP10RIPK1EP300HCAR2
SCHEMBL21350287 0.67 F2 (0.40) PARP15PARP10RIPK1LMNA
SCHEMBL13746027 0.66 TLR4 (0.39) PARP15PARP10RIPK1
SCHEMBL20207846 0.66 KAT6A (0.40) RIPK1
SCHEMBL21324938 0.66 F2 (0.36) RIPK1
SCHEMBL11937213 0.65 DRD2 (0.52) PARP15PARP10MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 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 (4 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-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD PARP15 224/4885PARP10 222/4885ELANE 2270/4885
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT PARP15 727/4885PARP10 702/4885ELANE 3233/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT PARP15 727/4885PARP10 702/4885ELANE 3233/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD PARP15 224/4885PARP10 222/4885ELANE 2270/4885

“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.