Sugi Predict

Sugi Predict / Compounds / SCHEMBL21939747

SCHEMBL21939747

SCHEMBL21939747

COC(=O)c1ccc(-c2ncc(CNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3[S+]4[O-])s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ROCK1 Q13464 8/20 0.36
▸ KDR P35968 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ SLK Q9H2G2 2/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 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
SCHEMBL18667825 0.91 HDAC1 (0.39) DRD2POLBTDP1HDAC1HDAC3
SCHEMBL26782747 0.90 HDAC1 (0.38) DRD2POLBTDP1HDAC1HDAC3
SCHEMBL21250439 0.90 DRD2 (0.40) DRD2POLBTDP1HDAC1HDAC3
SCHEMBL18667222 0.89 DRD2 (0.38) DRD2TP53POLBTHRBROCK1
SCHEMBL21250465 0.88 EGLN1 (0.42) DRD2HDAC1HDAC3HDAC6ROCK1
SCHEMBL21250438 0.88 DRD2 (0.40) DRD2POLBHDAC1HDAC3HDAC6
SCHEMBL21250436 0.87 ROCK1 (0.41) DRD2HDAC1HDAC3HDAC6ROCK1
SCHEMBL21250403 0.86 HDAC1 (0.36) DRD2TP53HDAC1HDAC3HDAC6
SCHEMBL17080234 0.85 DRD2 (0.39) DRD2TP53POLBTDP1TAOK1
SCHEMBL18667166 0.85 DRD2 (0.36) DRD2TP53POLBHDAC1HDAC3

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-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 — — US disclosed
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-04-30 — — 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 (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-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS DRD2 4229/4885TP53 411/4885POLB 1965/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS DRD2 4229/4885TP53 411/4885POLB 1965/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS DRD2 4229/4885TP53 411/4885POLB 1965/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS DRD2 4229/4885TP53 411/4885POLB 1965/4885

“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.