SCHEMBL21844006

SCHEMBL21844006

CC(C)N[C@H](CO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
ECE1 P42892 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MME P08473 4/20 0.32
TSHR P16473 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL21310150 1.00 TGFBR1 (0.43) TGFBR1ECE1CA12CA1CA2
SCHEMBL16710264 1.00 TGFBR1 (0.43) TGFBR1ECE1CA12CA1CA2
SCHEMBL25897018 0.83 TGFBR1 (0.38) TGFBR1TDP1MMETSHR
SCHEMBL12971591 0.83 TGFBR1 (0.38) TGFBR1TDP1MMETSHR
SCHEMBL25897031 0.83 TGFBR1 (0.38) TGFBR1TDP1MMETSHR
SCHEMBL13707923 0.82 TGFBR1 (0.32) TGFBR1ECE1
SCHEMBL21540295 0.82 TGFBR1 (0.32) TGFBR1ECE1
SCHEMBL21540179 0.81 CA1 (0.35) TGFBR1ECE1CA12CA1CA2
SCHEMBL21540225 0.81 CA1 (0.35) TGFBR1ECE1CA12CA1CA2
SCHEMBL19091163 0.80 TGFBR1 (0.39) TGFBR1ECE1CA12CA1CA2

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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TGFBR1 4167/4885ECE1 4647/4885CA12 3585/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TGFBR1 4167/4885ECE1 4647/4885CA12 3585/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TGFBR1 4167/4885ECE1 4647/4885CA12 3585/4885

“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.