SCHEMBL18596108

SCHEMBL18596108

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc(C(=O)/C=C/C(=O)c3cc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)n(COCCS(C)(C)C)c4cc3F)c(F)cc2n1COCCS(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
SCN9A Q15858 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL18596283 0.92 TP53 (0.35) TP53SCN9ALMNATSHRALDH1A1
SCHEMBL12373338 0.90 TSHR (0.36) TP53LMNATSHRALDH1A1HCRTR1
SCHEMBL2756465 0.90 TSHR (0.36) TP53LMNATSHRALDH1A1HCRTR1
SCHEMBL12705312 0.90 TSHR (0.36) TP53LMNATSHRALDH1A1HCRTR1
SCHEMBL18596353 0.86 TSHR (0.37) TP53LMNATSHRALDH1A1GPR119
SCHEMBL18653227 0.86 TP53 (0.34) TP53SCN9ALMNATSHRALDH1A1
SCHEMBL18596139 0.86 TP53 (0.34) TP53SCN9ALMNATSHRALDH1A1
SCHEMBL18596107 0.82 TP53 (0.33) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL18653132 0.82 TP53 (0.33) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL18930261 0.82 TSHR (0.35) TP53LMNATSHRALDH1A1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 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 (6 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885SCN9A 4625/4885LMNA 3118/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885SCN9A 4625/4885LMNA 3118/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885SCN9A 4625/4885LMNA 3118/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885SCN9A 4625/4885LMNA 3118/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885SCN9A 4625/4885LMNA 3118/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885SCN9A 4625/4885LMNA 3118/4885

“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.