SCHEMBL12373346

SCHEMBL12373346

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc([C@@H](O)CC[C@H](O)c3cc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)n(COCC[Si](C)(C)C)c4cc3F)c(F)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KLKB1 P03952 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12705316 1.00 TSHR (0.35) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL2756466 1.00 TSHR (0.35) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL12006351 0.91 TP53 (0.36) TP53MAPT
SCHEMBL15453050 0.91 TP53 (0.36) TP53MAPT
SCHEMBL18653227 0.90 TP53 (0.34) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL18596139 0.90 TP53 (0.34) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL240500 0.87 TSHR (0.36) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL240501 0.87 TSHR (0.36) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL12705313 0.86 TSHR (0.36) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL12373340 0.86 TSHR (0.36) TSHRLMNAALDH1A1TP53MAPT

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 9 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-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
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 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 (5 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885ALDH1A1 2858/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885ALDH1A1 2858/4885

“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.