SCHEMBL3814044

SCHEMBL3814044

CC(C)(C)OC(=O)NC1CCCCCC=CCCC(C(=O)O)NC(=O)C2CC(O)C[N+]2C1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ REN P00797 1/20 0.30

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
SCHEMBL3373246 0.92 GAA (0.34) GAABACE1
SCHEMBL1683129 0.88 GAA (0.36) GAABTKBACE1
SCHEMBL3811327 0.86 GAA (0.33) GAA
SCHEMBL16242435 0.83 EPHX2 (0.33) BTKBACE1REN
SCHEMBL3059428 0.82 NAAA (0.33) —
SCHEMBL3805802 0.79 DDB1 (0.34) —
SCHEMBL1655875 0.78 BIRC3 (0.38) GAA
SCHEMBL1685577 0.77 GAA (0.34) GAABACE1
SCHEMBL3814397 0.77 GAA (0.31) GAA
SCHEMBL8019153 0.73 GAA (0.35) GAABTKBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
EP-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
EP-2089385-A2 INHIBITORS OF HEPATITIS C VIRUS Brystol-Myers Squibb Company (US) 2009-08-19 — — EP disclosed
EP-2086994-A2 INHIBITORS OF HEPATITIS C VIRUS Brystol-Myers Squibb Company (US) 2009-08-12 — — EP disclosed
EP-2086967-A2 INHIBITORS OF HEPATITIS C VIRUS Brystol-Myers Squibb Company (US) 2009-08-12 — — EP disclosed
WO-2008057871-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
WO-2008057873-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
WO-2008057875-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — 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-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS GAA 1693/4885BTK 2590/4885BACE1 3402/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP GAA 1603/4885BTK 2454/4885BACE1 3366/4885

“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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