SCHEMBL20022320

SCHEMBL20022320

CC(=O)c1cc2cc(C)c(C)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.58
DYRK1B Q9Y463 3/20 0.58
CLK1 P49759 2/20 0.58
STING1 Q86WV6 7/20 0.55
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
GPR35 Q9HC97 1/20 0.44
HSD17B1 P14061 1/20 0.39
LMNA P02545 1/20 0.37
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36

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
SCHEMBL10221595 0.84 GPR35 (0.63) DYRK1ADYRK1BCLK1STING1HDAC3
SCHEMBL20026586 0.83 HDAC3 (0.64) DYRK1ADYRK1BCLK1STING1HDAC3
SCHEMBL12926164 0.81 HDAC1 (0.78) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13556331 0.79 HDAC1 (0.56) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6840172 0.77 DYRK1A (0.69) DYRK1ADYRK1BCLK1HDAC3HDAC4
SCHEMBL18177617 0.77 CLK1 (0.59) DYRK1ADYRK1BCLK1STING1HDAC3
SCHEMBL5999605 0.77 DYRK1A (0.59) DYRK1ADYRK1BCLK1HDAC3HDAC4
SCHEMBL9204578 0.76 STING1 (0.63) DYRK1ADYRK1BCLK1STING1HDAC3
SCHEMBL20022187 0.76 STING1 (0.79) STING1
SCHEMBL21234934 0.74 CLK1 (0.51) DYRK1ADYRK1BCLK1STING1HDAC3

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-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 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 (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-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS DYRK1A 3459/4885DYRK1B 2866/4885CLK1 3775/4885

“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.