SCHEMBL7877249

SCHEMBL7877249

CC(C)(CO)COC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.33
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL7883717 0.87 TSHR (0.34) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL730936 0.81 MMP1 (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL1995258 0.81 MMP1 (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL27404328 0.81 HTT (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL2046468 0.79 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL6894145 0.79 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL733066 0.79 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL8300168 0.79 ATM (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL13864479 0.78 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL7886184 0.77 ACHE (0.38) TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429568-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-08-17 EP disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8936781-B2 Macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8936781-B2 Macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8324155-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20110033420-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20110033420-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-02-10 US disclosed
WO-2010132163-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed
WO-2009064975-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 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 (1 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-20110033420-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, HAVCR2, DPP4 TSHR 4661/4885LMNA 2193/4885CYP3A4 14/4885

“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.