SCHEMBL2706741

SCHEMBL2706741

COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@H]6N[C@@H]7CC[C@H]6C7)[nH]c5c4)ccc2-3)[nH]1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 4/20 0.45
NR1I2 O75469 2/20 0.45
KCNH2 Q12809 2/20 0.45
ABCB11 O95342 1/20 0.45
OPRK1 P41145 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 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
SCHEMBL19792177 1.00 CYP2C9 (0.45) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19981457 1.00 CYP2C9 (0.45) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19792202 1.00 CYP2C9 (0.45) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL18080886 1.00 CYP2C9 (0.45) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL206545 1.00 CYP2C9 (0.45) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL8747807 0.95 CYP2C9 (0.46) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL19981365 0.92 CYP2C9 (0.36) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL20055182 0.90 CYP2C9 (0.45) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL13070987 0.90 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
SCHEMBL18080874 0.90 CYP2C9 (0.46) CYP2C9CYP3A4NR1I2KCNH2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017145028-A1 PROCESS FOR PREPARATION OF LEDIPASVIR GLENMARK PHARMACEUTICALS LIMITED (IN) 2017-08-31 WO 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
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (7 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 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885NR1I2 3435/4885

“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.