SCHEMBL21291439

SCHEMBL21291439

CC1=C(C)S(=O)(=O)c2ccc(C(=O)NCc3cnc(-n4cccn4)s3)cc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
EGLN1 Q9GZT9 3/20 0.35
RAB9A P51151 1/20 0.35
KLKB1 P03952 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CXCR4 P61073 1/20 0.34
PKM P14618 1/20 0.33
BRPF1 P55201 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
SCHEMBL18667649 0.89 PKM (0.41) RIPK2KMT2APOLBALDH1A1PKM
SCHEMBL21291403 0.88 PKM (0.37) RIPK2KMT2APOLBTDP1ELOVL6
SCHEMBL21291438 0.84 KMT2A (0.45) RIPK2KMT2APOLBTDP1ELOVL6
SCHEMBL19984571 0.79 POLB (0.35) KMT2APOLBTDP1ELOVL6RAB9A
SCHEMBL21250417 0.79 PKM (0.41) KMT2APOLBTDP1ALDH1A1RXFP1
SCHEMBL19984549 0.79 RIPK2 (0.36) RIPK2KMT2AELOVL6EGLN1RAB9A
SCHEMBL18667319 0.78 PKM (0.44) KMT2APOLBALDH1A1PKM
SCHEMBL24221826 0.78 RIPK2 (0.36) RIPK2KMT2APOLBELOVL6EGLN1
SCHEMBL24221915 0.78 RIPK2 (0.36) RIPK2KMT2APOLBELOVL6EGLN1
SCHEMBL21291466 0.78 RIPK2 (0.36) RIPK2KMT2APOLBELOVL6EGLN1

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 RIPK2 995/4885KMT2A 3876/4885POLB 1770/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS RIPK2 995/4885KMT2A 3876/4885POLB 1770/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS RIPK2 995/4885KMT2A 3876/4885POLB 1770/4885

“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.