SCHEMBL10184219

SCHEMBL10184219

COC(=O)N[C@H](C)Cc1ccc(OP(=O)(O)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.56
▸ FPR2 P25090 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43

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
SCHEMBL8906922 0.85 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL12980245 0.85 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL754142 0.84 CA2 (0.46) FPR2F2PLGPLAUPLAT
SCHEMBL13255953 0.84 F2 (0.43) ACACBF2PLGPLAUPLAT
SCHEMBL12980056 0.84 F2 (0.43) ACACBF2PLGPLAUPLAT
SCHEMBL14330804 0.83 F2 (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL12281789 0.82 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL10228106 0.82 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL8909381 0.81 F2 (0.41) ACACBFPR2F2PLGPLAU
SCHEMBL10293316 0.81 F2 (0.41) ACACBFPR2F2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288562-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 — — US disclosed
US-8211928-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 — — US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-8138215-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 — — US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 — — US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 — — US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 — — US disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 — — US disclosed
US-20100233120-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-16 — — US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 — — 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 (8 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACACB 74/4885FPR2 4047/4885F2 4424/4885
US-20100233120-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885FPR2 3812/4885F2 1997/4885
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ACACB 58/4885FPR2 3812/4885F2 1997/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885FPR2 3812/4885F2 1997/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACACB 74/4885FPR2 4047/4885F2 4424/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACACB 67/4885FPR2 4123/4885F2 4302/4885
US-20100303755-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885FPR2 3812/4885F2 1997/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885FPR2 3812/4885F2 1997/4885

“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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