SCHEMBL20468303

SCHEMBL20468303

CC(C)(C)OC(=O)N[C@H](c1nc2cc(-c3ccc(-c4cc5nc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c5cc4F)cc3)c(F)cc2[nH]1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.47
▸ TRPA1 O75762 1/20 0.37
▸ GABRB1 P18505 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL20465386 0.95 AAK1 (0.46) AAK1TRPA1GABRB1GABRB2GRM2
SCHEMBL20054545 0.84 AAK1 (0.64) AAK1TRPV1SCN10ASCN9ALCK
SCHEMBL15116826 0.84 AAK1 (0.64) AAK1TRPV1SCN10ASCN9ALCK
SCHEMBL20465384 0.83 AAK1 (0.42) AAK1TRPA1GABRB1GABRB2SCN10A
SCHEMBL20468381 0.81 AAK1 (0.38) AAK1SCN10APRCP
SCHEMBL21894503 0.81 AAK1 (0.38) AAK1SCN10APRCP
SCHEMBL18482392 0.81 AAK1 (0.38) AAK1SCN10APRCP
SCHEMBL20468286 0.81 AAK1 (0.38) AAK1SCN10APRCP
SCHEMBL16532762 0.78 AAK1 (0.50) AAK1LCK
SCHEMBL15116746 0.78 AAK1 (0.50) AAK1SCN10ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617675-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 — — US disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — 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 (2 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-10617675-B2 Hepatitis C virus inhibitors HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885TRPA1 4722/4885GABRB1 3608/4885
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885TRPA1 4722/4885GABRB1 3608/4885

“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.

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