SCHEMBL21291407

SCHEMBL21291407

CC1=C(C)S(=O)(=O)c2ccc(C(=O)NCc3cnc(-c4ccc(C#N)cc4F)s3)cc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 18/20 0.42
KLKB1 P03952 1/20 0.38
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL18667414 0.90 EGLN1 (0.44) EGLN1
SCHEMBL21291308 0.89 EGLN1 (0.40) EGLN1KLKB1ROCK2
SCHEMBL21291409 0.86 EGLN1 (0.42) EGLN1KLKB1ROCK2ROCK1
SCHEMBL21291405 0.85 EGLN1 (0.42) EGLN1KLKB1ROCK2ROCK1
SCHEMBL21250332 0.81 EGLN1 (0.44) EGLN1
SCHEMBL18667815 0.80 EGLN1 (0.45) EGLN1KLKB1ROCK2
SCHEMBL18667774 0.80 TP53 (0.48) EGLN1
SCHEMBL21250450 0.80 EGLN1 (0.39) EGLN1ROCK2ROCK1
SCHEMBL19984744 0.80 EGLN1 (0.39) EGLN1KLKB1ROCK2
SCHEMBL21250361 0.79 EGLN1 (0.38) EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 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 (3 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS EGLN1 3738/4885KLKB1 2491/4885ROCK2 3592/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS EGLN1 3738/4885KLKB1 2491/4885ROCK2 3592/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS EGLN1 3738/4885KLKB1 2491/4885ROCK2 3592/4885

“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.