SCHEMBL205474

SCHEMBL205474

COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(=O)O)OCCO2)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
CYP3A4 P08684 3/20 0.34
CAPN1 P07384 3/20 0.34
CYP2C9 P11712 2/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL206302 1.00 MMP2 (0.38) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL15586366 1.00 MMP2 (0.38) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL19593019 1.00 MMP2 (0.38) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL205475 1.00 MMP2 (0.38) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL12772377 0.95 MMP2 (0.40) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL19592875 0.91 MMP2 (0.42) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL15586368 0.91 MMP2 (0.42) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL12098699 0.91 MMP2 (0.42) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL12098697 0.91 MMP2 (0.42) MMP2CYP3A4CAPN1CYP2C9NR1I2
SCHEMBL1646487 0.91 MMP2 (0.42) MMP2CYP3A4CAPN1CYP2C9NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP 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
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US 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
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO 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
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 (4 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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 MMP2 3149/4885CYP3A4 1770/4885CAPN1 3192/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 MMP2 3108/4885CYP3A4 52/4885CAPN1 4283/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MMP2 3149/4885CYP3A4 1770/4885CAPN1 3192/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MMP2 3149/4885CYP3A4 1770/4885CAPN1 3192/4885

“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.