SCHEMBL204012

SCHEMBL204012

CC(C)(C)NC(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(CNC(=O)C4CCCN4C(=O)OC(C)(C)C)cc3)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.49
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP1A2 P05177 2/20 0.48
F2 P00734 1/20 0.48
KCNH2 Q12809 2/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL625717 0.94 PRCP (0.53) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL625719 0.94 PRCP (0.53) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL625718 0.94 PRCP (0.53) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL19339746 0.86 ALDH1A1 (0.47) PRCPCYP3A4CYP2C9CYP1A2F2
SCHEMBL10092363 0.83 PRCP (0.50) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL10092578 0.83 PRCP (0.50) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL203264 0.82 CYP3A4 (0.51) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL204695 0.81 CYP3A4 (0.48) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL753302 0.81 CYP3A4 (0.60) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL11910995 0.81 CYP3A4 (0.60) PRCPCYP3A4CYP2C9CYP1A2KCNH2

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
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 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
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-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 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-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 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-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 (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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885

“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.