SCHEMBL1726822

SCHEMBL1726822

COC(=O)c1sc(I)cc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
ALOX15 P16050 1/20 0.32
ATM Q13315 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
MAPK14 Q16539 4/20 0.32
RAF1 P04049 3/20 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
SCHEMBL13992658 0.82 MAPT (0.36) MAPTKMT2AHSD17B10TSHRMAPK1
SCHEMBL1727594 0.76 ESR1 (0.41) MAPTHSD17B10TSHRMAPK1LMNA
SCHEMBL1751714 0.76 MAPT (0.57) MAPTKMT2AMAPK1KDM4ENPC1
SCHEMBL13189643 0.76 PAX8 (0.30)
SCHEMBL4729037 0.75 NPC1 (0.47) MAPTKMT2AHSD17B10TSHRMAPK1
SCHEMBL13992652 0.75 ALDH1A1 (0.38) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL4781956 0.73 RAF1 (0.42) MAPTLMNAKDM4EHPGDALDH1A1
SCHEMBL18579613 0.72 GABRG2 (0.38) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL13992653 0.71 PAX8 (0.35) MAPTKDM4ENPC1GAA
SCHEMBL13992656 0.71 AKT3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403860-B1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2403860-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
WO-2010101967-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 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-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 MAPT 1176/4885KMT2A 2101/4885HSD17B10 1248/4885

“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.