SCHEMBL3059428

SCHEMBL3059428

CC(C)(C)OC(=O)NC1CCCCCC=CCCC(C(=O)O)NC(=O)C2CC(Oc3ccc([N+](=O)[O-])cc3)C[N+]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.33
▸ EPHX2 P34913 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
SCHEMBL16242435 0.82 EPHX2 (0.33) EPHX2
SCHEMBL3814044 0.82 GAA (0.34) —
SCHEMBL3811327 0.82 GAA (0.33) —
SCHEMBL1683129 0.79 GAA (0.36) —
SCHEMBL3805802 0.76 DDB1 (0.34) —
SCHEMBL3373246 0.75 GAA (0.34) —
SCHEMBL3814397 0.73 GAA (0.31) —
SCHEMBL3369229 0.70 DDB1 (0.34) —
SCHEMBL6155030 0.70 POLB (0.36) —
SCHEMBL3375542 0.69 DDB1 (0.36) —

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 16 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
EP-1951743-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 — — EP disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — 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
EP-1951743-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2008057875-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-2008057871-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
WO-2007056120-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-18 — — WO disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — 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-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ NAAA 2192/4885EPHX2 1661/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS NAAA 3667/4885EPHX2 3482/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP NAAA 3423/4885EPHX2 3215/4885

“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.

Send feedback