SCHEMBL21291402

SCHEMBL21291402

O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)NC(=O)c1ccncc1S2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.38
PKM P14618 1/20 0.36
BACE1 P56817 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
Vebicorvir SCHEMBL29485072 0.90 MAPT (0.40) PKMPOLBKMT2A
Vebicorvir SCHEMBL21250344 0.90 MAPT (0.40) PKMPOLBKMT2A
Vebicorvir SCHEMBL29366390 0.90 MAPT (0.40) PKMPOLBKMT2A
SCHEMBL19984571 0.86 POLB (0.35) PKMBACE1RAB9APOLBKMT2A
SCHEMBL19984755 0.85 TP53 (0.41) ROCK2RAB9APOLBKMT2ATDP1
SCHEMBL22746372 0.83 DRD2 (0.37) PKMBACE1RAB9APOLBKMT2A
SCHEMBL21291403 0.81 PKM (0.37) ROCK2PKMBACE1RAB9APOLB
SCHEMBL18667100 0.81 ALDH1A1 (0.42) PKMPOLBKMT2A
SCHEMBL21291308 0.80 EGLN1 (0.40) ROCK2
SCHEMBL18667473 0.78 TP53 (0.53) PKMRAB9APOLBKMT2ATDP1

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 ROCK2 3592/4885PKM 3449/4885BACE1 2172/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3592/4885PKM 3449/4885BACE1 2172/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3592/4885PKM 3449/4885BACE1 2172/4885

“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.