Sugi Predict

Sugi Predict / Compounds / SCHEMBL749876

SCHEMBL749876

SCHEMBL749876

O=C(O)N1CCCC1c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.55
▸ CYP3A4 P08684 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL3448550 1.00 PRCP (0.55) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16499272 0.99 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3343952 0.93 PRCP (0.61) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16498954 0.91 PRCP (0.52) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16737245 0.91 CYP3A4 (0.59) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16737244 0.91 CYP3A4 (0.59) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16499173 0.90 PRCP (0.55) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL933102 0.89 PRCP (0.52) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848586 0.89 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848588 0.89 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349945-B HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2021-10-29 — — CN disclosed
CN-111825659-A Impurity hydrochloride of dalatavir hydrochloride, preparation method and application thereof 扬子江药业集团有限公司 2020-10-27 — — CN disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — EP disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
WO-2018134842-A1 PROCESS FOR THE PREPARATION OF CARBAMIC ACID, N,N'-[[1,1'-BIPHENYL] -4,4'-DIYLBIS]- 1 H-IMIDAZOLE-5,2 DIYI-(2S)-2,1-PYRROLIDINEDIYL[(1 S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL]]] BIS-,C,C'-DIMETHYL ESTER AND ITS SALTS AND POLYMORPHS MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2018-07-26 — — WO disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 — — US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 — — US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 — — US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 — — WO 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 (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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PRCP 751/4885CYP3A4 2495/4885CYP2C9 3259/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS PRCP 211/4885CYP3A4 237/4885CYP2C9 322/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS PRCP 346/4885CYP3A4 1690/4885CYP2C9 3351/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885

“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.