SCHEMBL30170063

SCHEMBL30170063

COC(=O)[C@@H]1C[C@H](OCC#N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
UCHL1 P09936 1/20 0.35
CTSK P43235 2/20 0.35
AR P10275 1/20 0.33
PDE4B Q07343 1/20 0.33
MCL1 Q07820 1/20 0.33
ABCB1 P08183 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
SCHEMBL27020772 0.88 P2RX3 (0.38) P2RX3NR1H2NR1H3PTPN1MEN1
SCHEMBL13395597 0.88 P2RX3 (0.39) P2RX3NR1H2NR1H3PTPN1MEN1
SCHEMBL15718013 0.85 P2RX3 (0.43) P2RX3NR1H2NR1H3PTPN1MEN1
SCHEMBL18093989 0.85 P2RX3 (0.43) P2RX3NR1H2NR1H3PTPN1MEN1
SCHEMBL12226159 0.85 P2RX3 (0.43) P2RX3NR1H2NR1H3PTPN1MEN1
SCHEMBL16288382 0.84 MEN1 (0.36) P2RX3NR1H2MEN1ALDH1A1MAPT
SCHEMBL2494481 0.84 UCHL1 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL15083343 0.84 MEN1 (0.36) P2RX3NR1H2MEN1ALDH1A1MAPT
SCHEMBL23871945 0.84 P2RX3 (0.40) P2RX3NR1H2NR1H3PTPN1ALDH1A1
SCHEMBL18631875 0.82 P2RX3 (0.40) P2RX3NR1H2NR1H3PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243187-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-07-31 US disclosed
EP-4366831-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2024-05-15 EP disclosed
US-20240109871-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-04-04 US disclosed
US-11851422-B2 Anti-viral compounds ALIGOS THERAPEUTICS, INC. 2023-12-26 US disclosed
US-20230093249-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-03-23 US disclosed
WO-2023283256-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-01-12 WO 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-20250243187-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 P2RX3 4024/4885NR1H2 449/4885NR1H3 380/4885
US-20230093249-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 P2RX3 4024/4885NR1H2 449/4885NR1H3 380/4885
US-11851422-B2 Anti-viral compounds EIF2AK2, ZC3HAV1, HAVCR2 P2RX3 4024/4885NR1H2 449/4885NR1H3 380/4885
US-20240109871-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 P2RX3 4024/4885NR1H2 449/4885NR1H3 380/4885

“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.