SCHEMBL18596107

SCHEMBL18596107

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)n(COCCS(C)(C)C)c5cc4F)N3c3ccc(C(C)(C)C)cc3)c(F)cc2n1COCCS(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CREBBP Q92793 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL18653132 1.00 TP53 (0.33) TP53NR1H2NR1H3LMNATSHR
SCHEMBL18930401 0.95 HCRTR1 (0.31) TP53NR1H2NR1H3LMNATSHR
SCHEMBL20643784 0.94 ALOX5AP (0.32)
SCHEMBL30554879 0.91 TSHR (0.34) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL12705318 0.91 TSHR (0.34) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL12016861 0.91 TSHR (0.34) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL30554881 0.91 TSHR (0.34) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL18925913 0.87 LMNA (0.32) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL18930400 0.87 LMNA (0.32) TP53LMNATSHRHCRTR1HCRTR2
SCHEMBL16404054 0.86 ALOX5AP (0.31) TP53LMNATSHRCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885NR1H2 257/4885NR1H3 185/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885NR1H2 257/4885NR1H3 185/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885NR1H2 257/4885NR1H3 185/4885

“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.