SCHEMBL203787

SCHEMBL203787

COC(=O)N[C@H](C(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.79
CYP2C9 P11712 6/20 0.79
KCNH2 Q12809 3/20 0.79
NR1I2 O75469 2/20 0.79
ABCB11 O95342 1/20 0.79
OPRK1 P41145 1/20 0.79
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 2/20 0.70

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
SCHEMBL203786 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL202724 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL13464813 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12319287 0.99 CYP3A4 (0.80) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18020335 0.98 CYP3A4 (0.75) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19318813 0.95 CYP3A4 (0.70) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19324168 0.94 CYP3A4 (0.69) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19318794 0.94 CYP3A4 (0.69) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL204789 0.93 CYP3A4 (0.70) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2706981 0.93 CYP3A4 (0.70) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
EP-2513113-B1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2018-08-01 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-20120230951-A1 ANTIVIRAL COMPOUNDS ALAM MUZAFFAR (US) 2012-09-13 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2012020036-A1 HEPATITIS C VIRUS INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120039847-A1 Hepatitis C Virus Inhibitors ZHAO SHU-HAI (CN) 2012-02-16 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO 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 (6 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CYP3A4 29/4885CYP2C9 47/4885KCNH2 4080/4885
US-20120039847-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, LIPC CYP3A4 516/4885CYP2C9 1569/4885KCNH2 4104/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885
US-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP3A4 611/4885CYP2C9 1409/4885KCNH2 3883/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885

“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.