SCHEMBL325928

SCHEMBL325928

COC(=O)c1sc(C#CC(C)(C)C)cc1I

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAF1 P04049 8/20 0.33
MAPK14 Q16539 6/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CFTR P13569 1/20 0.32
HPGD P15428 1/20 0.32
NR1I2 O75469 2/20 0.31
OPRD1 P41143 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL937467 0.86 NR1I2 (0.39) L3MBTL1NR1I2
SCHEMBL18601589 0.85 RAB9A (0.41) MAPTKMT2AHSD17B10RAF1MAPK14
SCHEMBL10206102 0.84 SMN1; SMN2 (0.39) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL101448 0.82 KDM4E (0.45) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL10264822 0.82 TSHR (0.35) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL324394 0.82 HSD17B10 (0.35) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL10264813 0.80 MAPT (0.33) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL325862 0.79 MAPT (0.35) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL18643827 0.79 MAPT (0.33) MAPTTSHRKMT2AHSD17B10RAF1
SCHEMBL2217262 0.78 RAF1 (0.35) MAPTRAF1MAPK14KDM4EMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219713-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2017-09-20 EP disclosed
EP-3219713-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2017-09-20 EP disclosed
EP-2523950-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
EP-2523950-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (3 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-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 MAPT 2889/4885TSHR 4286/4885KMT2A 3967/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 MAPT 2889/4885TSHR 4286/4885KMT2A 3967/4885
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 MAPT 2889/4885TSHR 4286/4885KMT2A 3967/4885

“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.